ethyl (6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: ethyl (6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: ethyl (6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-6-(4-tert-butylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C[C@@H](CC2=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C22H27NO3/c1-6-26-21(25)20-13(2)19-17(23-20)11-15(12-18(19)24)14-7-9-16(10-8-14)22(3,4)5/h7-10,15,23H,6,11-12H2,1-5H3/t15-/m0/s1