(4-carbamimidoylphenyl)carbamoyl 2-phenylbenzoate hydrochloride

Systemtic Name: (4-carbamimidoylphenyl)carbamoyl 2-phenylbenzoate hydrochloride Openeye Name: (4-carbamimidoylphenyl)carbamoyl 2-phenylbenzoate hydrochloride CAS Name: 2-phenylbenzoic acid [(4-carbamimidoylanilino)-oxomethyl] ester hydrochloride IUPAC Name: (4-carbamimidoylphenyl)carbamoyl 2-phenylbenzoate hydrochloride Traditional Name: 2-phenylbenzoic acid (4-amidinophenyl)carbamoyl ester hydrochloride Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(=O)NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(=O)NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H17N3O3.ClH/c22-19(23)15-10-12-16(13-11-15)24-21(26)27-20(25)18-9-5-4-8-17(18)14-6-2-1-3-7-14;/h1-13H,(H3,22,23)(H,24,26);1H