3-Amino-4-butyrylamino-5-methylbenzoic acid methyl ester

CAS Registry Number®

675882-71-0
No image available.

CAS Name

3-Amino-4-butyrylamino-5-methylbenzoic acid methyl ester

Molecular Formula

C13H18N2O3

Molecular Mass

250.29

Cite this Page

3-Amino-4-butyrylamino-5-methylbenzoic acid methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=675882-71-0 (retrieved 2024-08-15) (CAS RN: 675882-71-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H18N2O3/c1-4-5-11(16)15-12-8(2)6-9(7-10(12)14)13(17)18-3/h6-7H,4-5,14H2,1-3H3,(H,15,16)

InChIKey

InChIKey=UITANFWKOFOWHF-UHFFFAOYSA-N

SMILES

N(C(CCC)=O)C1=C(C)C=C(C(OC)=O)C=C1N

Canonical SMILES

O=C(OC)C1=CC(N)=C(NC(=O)CCC)C(=C1)C

Other Names for this Substance

  • Benzoic acid, 3-amino-5-methyl-4-[(1-oxobutyl)amino]-, methyl ester
  • Methyl 3-amino-4-butanamido-5-methylbenzoate
  • 3-Amino-4-butyrylamino-5-methylbenzoic acid methyl ester