4-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzoic acid

Systemtic Name: 4-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzoic acid Openeye Name: 4-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-(4-carbamimidoylanilino)-2-oxo-2-[(phenylmethyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxoethyl]benzoic acid Traditional Name: 4-[1-(4-amidinoanilino)-2-(benzylamino)-2-keto-ethyl]benzoic acid Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H22N4O3/c24-21(25)17-10-12-19(13-11-17)27-20(16-6-8-18(9-7-16)23(29)30)22(28)26-14-15-4-2-1-3-5-15/h1-13,20,27H,14H2,(H3,24,25)(H,26,28)(H,29,30)