indol-1-yl 3-methyl-2-(methylamino)-4-[[4-(2-methylpropyl)phenyl]amino]-4-oxidanylidene-2-(phenylcarbonyl)butanoate

Systemtic Name: indol-1-yl 3-methyl-2-(methylamino)-4-[[4-(2-methylpropyl)phenyl]amino]-4-oxidanylidene-2-(phenylcarbonyl)butanoate Openeye Name: indol-1-yl 2-benzoyl-4-(4-isobutylanilino)-3-methyl-2-(methylamino)-4-oxo-butanoate CAS Name: 2-benzoyl-3-methyl-2-(methylamino)-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid 1-indolyl ester IUPAC Name: indol-1-yl 2-benzoyl-3-methyl-2-(methylamino)-4-[4-(2-methylpropyl)anilino]-4-oxobutanoate Traditional Name: 2-benzoyl-4-(4-isobutylanilino)-4-keto-3-methyl-2-(methylamino)butyric acid indol-1-yl ester Formula: C31H33N3O4 MolecularWeight: 511.61142

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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)ON3C=CC4=CC=CC=C43)NC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)NC(=O)C(C)C(C(=O)C2=CC=CC=C2)(C(=O)ON3C=CC4=CC=CC=C43)NC

InChI

InChI=1S/C31H33N3O4/c1-21(2)20-23-14-16-26(17-15-23)33-29(36)22(3)31(32-4,28(35)25-11-6-5-7-12-25)30(37)38-34-19-18-24-10-8-9-13-27(24)34/h5-19,21-22,32H,20H2,1-4H3,(H,33,36)