[(2S)-butan-2-yl] (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: [(2S)-butan-2-yl] (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: [(1S)-1-methylpropyl] (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-4-keto-3-methyl-6-p-phenetyl-1,5,6,7-tetrahydroindole-2-carboxylic acid [(1S)-1-methylpropyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-5-13(3)27-22(25)21-14(4)20-18(23-21)11-16(12-19(20)24)15-7-9-17(10-8-15)26-6-2/h7-10,13,16,23H,5-6,11-12H2,1-4H3/t13-,16-/m0/s1