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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-cyano-phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-cyano-phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-cyanophenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-cyanophenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-cyano-phenyl]benzoic acid Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O3/c23-12-13-5-10-17(16-3-1-2-4-18(16)22(28)29)19(11-13)21(27)26-15-8-6-14(7-9-15)20(24)25/h1-11H,(H3,24,25)(H,26,27)(H,28,29)