propan-2-yl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: propan-2-yl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: isopropyl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-6-(4-ethylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid isopropyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC(C)C)C)C(=O)C2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OC(C)C)C)C(=O)C2

InChI

InChI=1S/C21H25NO3/c1-5-14-6-8-15(9-7-14)16-10-17-19(18(23)11-16)13(4)20(22-17)21(24)25-12(2)3/h6-9,12,16,22H,5,10-11H2,1-4H3/t16-/m0/s1