2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-4-phenylmethoxy-phenyl]-5-ethanoyl-benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-4-phenylmethoxy-phenyl]-5-ethanoyl-benzoic acid Openeye Name: 5-acetyl-2-[4-benzyloxy-2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-phenyl]benzoic acid CAS Name: 5-acetyl-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-5-methyl-4-phenylmethoxyphenyl]benzoic acid IUPAC Name: 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-4-phenylmethoxyphenyl]benzoic acid Traditional Name: 5-acetyl-2-[2-[(4-amidinophenyl)carbamoyl]-4-benzoxy-5-methyl-phenyl]benzoic acid Formula: C31H27N3O5 MolecularWeight: 521.56318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=C(C=C(C=C2)C(=O)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=C(C=C(C=C2)C(=O)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C31H27N3O5/c1-18-14-25(24-13-10-22(19(2)35)15-27(24)31(37)38)26(16-28(18)39-17-20-6-4-3-5-7-20)30(36)34-23-11-8-21(9-12-23)29(32)33/h3-16H,17H2,1-2H3,(H3,32,33)(H,34,36)(H,37,38)