2-methylpropyl (6R)-3-methyl-6-(4-methylphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: 2-methylpropyl (6R)-3-methyl-6-(4-methylphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: isobutyl (6R)-3-methyl-4-oxo-6-(p-tolyl)-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-3-methyl-6-(4-methylphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (6R)-3-methyl-6-(4-methylphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-4-keto-3-methyl-6-(p-tolyl)-1,5,6,7-tetrahydroindole-2-carboxylic acid isobutyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OCC(C)C)C)C(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC3=C(C(=C(N3)C(=O)OCC(C)C)C)C(=O)C2

InChI

InChI=1S/C21H25NO3/c1-12(2)11-25-21(24)20-14(4)19-17(22-20)9-16(10-18(19)23)15-7-5-13(3)6-8-15/h5-8,12,16,22H,9-11H2,1-4H3/t16-/m1/s1