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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)acetyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)acetyl]amino]-2-phenyl-acetic acid Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)