butyl (6S)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: butyl (6S)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: butyl (6S)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid butyl ester IUPAC Name: butyl (6S)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-6-(2,5-dimethoxyphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid butyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-5-6-9-28-22(25)21-13(2)20-17(23-21)10-14(11-18(20)24)16-12-15(26-3)7-8-19(16)27-4/h7-8,12,14,23H,5-6,9-11H2,1-4H3/t14-/m0/s1