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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=C(C=CC(=C3)OC)OC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)C3=C(C=CC(=C3)OC)OC)C(=O)OCC(C)C

InChI

InChI=1S/C22H27NO5/c1-12(2)11-28-22(25)21-13(3)20-17(23-21)8-14(9-18(20)24)16-10-15(26-4)6-7-19(16)27-5/h6-7,10,12,14,23H,8-9,11H2,1-5H3