2-[(4-carbamimidoylphenyl)carbamoyl]-4-phenyl-benzoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbamoyl]-4-phenyl-benzoic acid Openeye Name: 2-[(4-carbamimidoylphenyl)carbamoyl]-4-phenyl-benzoic acid CAS Name: 2-[(4-carbamimidoylanilino)-oxomethyl]-4-phenylbenzoic acid IUPAC Name: 2-[(4-carbamimidoylphenyl)carbamoyl]-4-phenylbenzoic acid Traditional Name: 2-[(4-amidinophenyl)carbamoyl]-4-phenyl-benzoic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

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