tert-butyl 3a-(3,4-dimethoxyphenyl)-1-methyl-6-oxidanylidene-2,3,4,5,7,7a-hexahydroindole-7-carboxylate

Systemtic Name: tert-butyl 3a-(3,4-dimethoxyphenyl)-1-methyl-6-oxidanylidene-2,3,4,5,7,7a-hexahydroindole-7-carboxylate Openeye Name: tert-butyl 3a-(3,4-dimethoxyphenyl)-1-methyl-6-oxo-2,3,4,5,7,7a-hexahydroindole-7-carboxylate CAS Name: 3a-(3,4-dimethoxyphenyl)-1-methyl-6-oxo-2,3,4,5,7,7a-hexahydroindole-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3a-(3,4-dimethoxyphenyl)-1-methyl-6-oxo-2,3,4,5,7,7a-hexahydroindole-7-carboxylate Traditional Name: 3a-(3,4-dimethoxyphenyl)-6-keto-1-methyl-2,3,4,5,7,7a-hexahydroindole-7-carboxylic acid tert-butyl ester Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2C(CCC1=O)(CCN2C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1C2C(CCC1=O)(CCN2C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H31NO5/c1-21(2,3)28-20(25)18-15(24)9-10-22(11-12-23(4)19(18)22)14-7-8-16(26-5)17(13-14)27-6/h7-8,13,18-19H,9-12H2,1-6H3