3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-1,4-dihydro-6-methyl-4-phenyl-, 3-ethyl 5-methyl ester, compd. with benzenesulfonic acid (1:1)

CAS Registry Number®

1078163-17-3
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CAS Name

3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-1,4-dihydro-6-methyl-4-phenyl-, 3-ethyl 5-methyl ester, compd. with benzenesulfonic acid (1:1)

Molecular Formula

C20H26N2O5.C6H6O3S

Cite this Page

3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-1,4-dihydro-6-methyl-4-phenyl-, 3-ethyl 5-methyl ester, compd. with benzenesulfonic acid (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1078163-17-3 (retrieved 2024-08-21) (CAS RN: 1078163-17-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26N2O5.C6H6O3S/c1-4-27-20(24)18-15(12-26-11-10-21)22-13(2)16(19(23)25-3)17(18)14-8-6-5-7-9-14;7-10(8,9)6-4-2-1-3-5-6/h5-9,17,22H,4,10-12,21H2,1-3H3;1-5H,(H,7,8,9)

InChIKey

InChIKey=MBQQCGLTQLNOHS-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C(C(C(OC)=O)=C(C)NC1COCCN)C2=CC=CC=C2.S(=O)(=O)(O)C1=CC=CC=C1

Canonical SMILES

O=C(OC)C1=C(NC(=C(C(=O)OCC)C1C=2C=CC=CC2)COCCN)C.O=S(=O)(O)C=1C=CC=CC1

Other Names for this Substance

  • 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-1,4-dihydro-6-methyl-4-phenyl-, 3-ethyl 5-methyl ester, compd. with benzenesulfonic acid (1:1)