2-indol-1-yl-3-[4-(2-methylpropyl)phenyl]-3-(2-oxidanylidene-2-phenylazanyl-ethoxy)-2-(phenylcarbonyl)butanoic acid

Systemtic Name: 2-indol-1-yl-3-[4-(2-methylpropyl)phenyl]-3-(2-oxidanylidene-2-phenylazanyl-ethoxy)-2-(phenylcarbonyl)butanoic acid Openeye Name: 3-(2-anilino-2-oxo-ethoxy)-2-benzoyl-2-indol-1-yl-3-(4-isobutylphenyl)butanoic acid CAS Name: 3-(2-anilino-2-oxoethoxy)-2-benzoyl-2-(1-indolyl)-3-[4-(2-methylpropyl)phenyl]butanoic acid IUPAC Name: 3-(2-anilino-2-oxoethoxy)-2-benzoyl-2-indol-1-yl-3-[4-(2-methylpropyl)phenyl]butanoic acid Traditional Name: 3-(2-anilino-2-keto-ethoxy)-2-benzoyl-2-indol-1-yl-3-(4-isobutylphenyl)butyric acid Formula: C37H36N2O5 MolecularWeight: 588.69214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)(C(C(=O)C2=CC=CC=C2)(C(=O)O)N3C=CC4=CC=CC=C43)OCC(=O)NC5=CC=CC=C5

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)(C(C(=O)C2=CC=CC=C2)(C(=O)O)N3C=CC4=CC=CC=C43)OCC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C37H36N2O5/c1-26(2)24-27-18-20-30(21-19-27)36(3,44-25-33(40)38-31-15-8-5-9-16-31)37(35(42)43,34(41)29-13-6-4-7-14-29)39-23-22-28-12-10-11-17-32(28)39/h4-23,26H,24-25H2,1-3H3,(H,38,40)(H,42,43)