(4-carbamimidoylphenyl) 4-[[(phenylmethyl)amino]methyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[[(phenylmethyl)amino]methyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(benzylamino)methyl]benzoate CAS Name: 4-[[(phenylmethyl)amino]methyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(benzylamino)methyl]benzoate Traditional Name: 4-[(benzylamino)methyl]benzoic acid (4-amidinophenyl) ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

InChI

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