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

Systemtic Name: cycloheptyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cycloheptyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 6-(3,4-dimethoxyphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid cycloheptyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=C(C=C3)OC)OC)C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)C3=CC(=C(C=C3)OC)OC)C(=O)OC4CCCCCC4

InChI

InChI=1S/C25H31NO5/c1-15-23-19(26-24(15)25(28)31-18-8-6-4-5-7-9-18)12-17(13-20(23)27)16-10-11-21(29-2)22(14-16)30-3/h10-11,14,17-18,26H,4-9,12-13H2,1-3H3