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

Systemtic Name: 2-indol-1-yl-3-methyl-4-[[3-(2-methylpropyl)phenyl]amino]-2-(phenylcarbonyl)butanoic acid Openeye Name: 2-benzoyl-2-indol-1-yl-4-(3-isobutylanilino)-3-methyl-butanoic acid CAS Name: 2-benzoyl-2-(1-indolyl)-3-methyl-4-[3-(2-methylpropyl)anilino]butanoic acid IUPAC Name: 2-benzoyl-2-indol-1-yl-3-methyl-4-[3-(2-methylpropyl)anilino]butanoic acid Traditional Name: 2-benzoyl-2-indol-1-yl-4-(3-isobutylanilino)-3-methyl-butyric acid Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O3/c1-21(2)18-23-10-9-14-26(19-23)31-20-22(3)30(29(34)35,28(33)25-12-5-4-6-13-25)32-17-16-24-11-7-8-15-27(24)32/h4-17,19,21-22,31H,18,20H2,1-3H3,(H,34,35)