4-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzoate hydrochloride

Systemtic Name: 4-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzoate hydrochloride Openeye Name: 4-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxo-ethyl]benzoate hydrochloride CAS Name: 4-[1-(4-carbamimidoylanilino)-2-oxo-2-[(phenylmethyl)amino]ethyl]benzoate hydrochloride IUPAC Name: 4-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxoethyl]benzoate hydrochloride Traditional Name: 4-[1-(4-amidinoanilino)-2-(benzylamino)-2-keto-ethyl]benzoate hydrochloride Formula: C23H22ClN4O3- MolecularWeight: 437.89878

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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.Cl

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.Cl

InChI

InChI=1S/C23H22N4O3.ClH/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);1H/p-1