2-[(4-carbamimidoylphenyl)amino]-2-(4,5-dimethoxy-2-phenyl-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(4,5-dimethoxy-2-phenyl-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(4,5-dimethoxy-2-phenyl-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(4,5-dimethoxy-2-phenylphenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(4,5-dimethoxy-2-phenylphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(4,5-dimethoxy-2-phenyl-phenyl)acetate hydrochloride Formula: C23H23ClN3O4- MolecularWeight: 440.89942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=CC=CC=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N)OC.Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=CC=CC=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N)OC.Cl

InChI

InChI=1S/C23H23N3O4.ClH/c1-29-19-12-17(14-6-4-3-5-7-14)18(13-20(19)30-2)21(23(27)28)26-16-10-8-15(9-11-16)22(24)25;/h3-13,21,26H,1-2H3,(H3,24,25)(H,27,28);1H/p-1