methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate hydrochloride

Systemtic Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate hydrochloride Openeye Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate hydrochloride CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate hydrochloride Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]benzoic acid methyl ester hydrochloride Formula: C22H20ClN3O3 MolecularWeight: 409.8655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C22H19N3O3.ClH/c1-28-22(27)19-9-5-3-7-17(19)16-6-2-4-8-18(16)21(26)25-15-12-10-14(11-13-15)20(23)24;/h2-13H,1H3,(H3,23,24)(H,25,26);1H