2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-phenylmethoxy-phenyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-phenylmethoxy-phenyl]benzoic acid Openeye Name: 2-[3-benzyloxy-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-phenylmethoxyphenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-phenylmethoxyphenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-benzoxy-phenyl]benzoic acid Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H23N3O4/c29-26(30)19-13-15-20(16-14-19)31-27(32)25-22(21-9-4-5-10-23(21)28(33)34)11-6-12-24(25)35-17-18-7-2-1-3-8-18/h1-16H,17H2,(H3,29,30)(H,31,32)(H,33,34)