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

Systemtic Name: propan-2-yl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-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 isopropyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC(C)C)C)C(=O)C2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OC(C)C)C)C(=O)C2

InChI

InChI=1S/C21H25NO4/c1-5-25-16-8-6-14(7-9-16)15-10-17-19(18(23)11-15)13(4)20(22-17)21(24)26-12(2)3/h6-9,12,15,22H,5,10-11H2,1-4H3/t15-/m0/s1