3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoate IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]phenyl]benzoate Formula: C21H16N3O3- MolecularWeight: 358.37004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)[O-])C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)[O-])C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

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