2-oxidanyl-5-[[4-[(4-pentylphenyl)methylcarbamoyl]phenyl]methyl-(3-phenylpropanoyl)amino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[[4-[(4-pentylphenyl)methylcarbamoyl]phenyl]methyl-(3-phenylpropanoyl)amino]benzoic acid Openeye Name: 2-hydroxy-5-[[4-[(4-pentylphenyl)methylcarbamoyl]phenyl]methyl-(3-phenylpropanoyl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[4-[oxo-[(4-pentylphenyl)methylamino]methyl]phenyl]methyl-(1-oxo-3-phenylpropyl)amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[4-[(4-pentylphenyl)methylcarbamoyl]phenyl]methyl-(3-phenylpropanoyl)amino]benzoic acid Traditional Name: 5-[[4-[(4-amylbenzyl)carbamoyl]benzyl]-hydrocinnamoyl-amino]-2-hydroxy-benzoic acid Formula: C36H38N2O5 MolecularWeight: 578.69732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)O)C(=O)O)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)O)C(=O)O)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C36H38N2O5/c1-2-3-5-8-27-11-13-28(14-12-27)24-37-35(41)30-18-15-29(16-19-30)25-38(31-20-21-33(39)32(23-31)36(42)43)34(40)22-17-26-9-6-4-7-10-26/h4,6-7,9-16,18-21,23,39H,2-3,5,8,17,22,24-25H2,1H3,(H,37,41)(H,42,43)