5-[(4-cyanophenyl)carbonyl-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(4-cyanophenyl)carbonyl-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(4-cyanobenzoyl)-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[(4-cyanophenyl)-oxomethyl]-[[4-[oxo-[(4-phenoxyphenyl)methylamino]methyl]phenyl]methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(4-cyanobenzoyl)-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[(4-cyanobenzoyl)-[4-[(4-phenoxybenzyl)carbamoyl]benzyl]amino]-2-hydroxy-benzoic acid Formula: C36H27N3O6 MolecularWeight: 597.61608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN(C4=CC(=C(C=C4)O)C(=O)O)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN(C4=CC(=C(C=C4)O)C(=O)O)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C36H27N3O6/c37-21-24-6-14-28(15-7-24)35(42)39(29-16-19-33(40)32(20-29)36(43)44)23-26-8-12-27(13-9-26)34(41)38-22-25-10-17-31(18-11-25)45-30-4-2-1-3-5-30/h1-20,40H,22-23H2,(H,38,41)(H,43,44)