3-[[2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)acetyl]amino]benzoic acid CAS Name: 3-[[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)acetyl]amino]benzoic acid Formula: C30H28N4O5 MolecularWeight: 524.56712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C30H28N4O5/c1-38-26-17-21(12-15-25(26)39-18-19-6-3-2-4-7-19)27(33-23-13-10-20(11-14-23)28(31)32)29(35)34-24-9-5-8-22(16-24)30(36)37/h2-17,27,33H,18H2,1H3,(H3,31,32)(H,34,35)(H,36,37)