Phenylmethyl 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]benzoate

CAS Registry Number®

78718-52-2

CAS Name

Phenylmethyl 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]benzoate

Molecular Formula

C23H27N3O4

Molecular Mass

409.48

Cite this Page

Phenylmethyl 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78718-52-2 (retrieved 2024-10-11) (CAS RN: 78718-52-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C23H27N3O4/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H4,24,25,26)/t16-,18-

InChIKey

InChIKey=IAXUQWSLRKIRFR-SAABIXHNNA-N

SMILES

C(OCC1=CC=CC=C1)(=O)C2=C(OC(=O)[C@H]3CC[C@H](CNC(=N)N)CC3)C=CC=C2

Canonical SMILES

O=C(OCC=1C=CC=CC1)C=2C=CC=CC2OC(=O)C3CCC(CNC(=N)N)CC3

Other Names for this Substance

  • Benzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester
  • Benzoic acid, 2-[[[4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, trans-
  • Phenylmethyl 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]benzoate
  • Benexate

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