(4-carbamimidoylphenyl) 2-[[(phenylmethyl)amino]methyl]benzoate; ethanoic acid

Systemtic Name: (4-carbamimidoylphenyl) 2-[[(phenylmethyl)amino]methyl]benzoate; ethanoic acid Openeye Name: acetic acid; (4-carbamimidoylphenyl) 2-[(benzylamino)methyl]benzoate CAS Name: acetic acid; 2-[[(phenylmethyl)amino]methyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: acetic acid; (4-carbamimidoylphenyl) 2-[(benzylamino)methyl]benzoate Traditional Name: acetic acid; 2-[(benzylamino)methyl]benzoic acid (4-amidinophenyl) ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)CNCC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)CNCC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H21N3O2.C2H4O2/c23-21(24)17-10-12-19(13-11-17)27-22(26)20-9-5-4-8-18(20)15-25-14-16-6-2-1-3-7-16;1-2(3)4/h1-13,25H,14-15H2,(H3,23,24);1H3,(H,3,4)