2-indol-1-yl-3-methoxy-3-methyl-4-[[4-(2-methylpropyl)phenyl]amino]-4-oxidanylidene-2-(phenylcarbonyl)butanoic acid

Systemtic Name: 2-indol-1-yl-3-methoxy-3-methyl-4-[[4-(2-methylpropyl)phenyl]amino]-4-oxidanylidene-2-(phenylcarbonyl)butanoic acid Openeye Name: 2-benzoyl-2-indol-1-yl-4-(4-isobutylanilino)-3-methoxy-3-methyl-4-oxo-butanoic acid CAS Name: 2-benzoyl-2-(1-indolyl)-3-methoxy-3-methyl-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid IUPAC Name: 2-benzoyl-2-indol-1-yl-3-methoxy-3-methyl-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid Traditional Name: 2-benzoyl-2-indol-1-yl-4-(4-isobutylanilino)-4-keto-3-methoxy-3-methyl-butyric acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)NC(=O)C(C)(C(C(=O)C2=CC=CC=C2)(C(=O)O)N3C=CC4=CC=CC=C43)OC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)NC(=O)C(C)(C(C(=O)C2=CC=CC=C2)(C(=O)O)N3C=CC4=CC=CC=C43)OC

InChI

InChI=1S/C31H32N2O5/c1-21(2)20-22-14-16-25(17-15-22)32-28(35)30(3,38-4)31(29(36)37,27(34)24-11-6-5-7-12-24)33-19-18-23-10-8-9-13-26(23)33/h5-19,21H,20H2,1-4H3,(H,32,35)(H,36,37)