cycloheptyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cycloheptyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cycloheptyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC5CCCCCC5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC5CCCCCC5

InChI

InChI=1S/C27H33NO5/c1-16-23(26(30)33-18-8-6-4-5-7-9-18)24(17-10-11-21-22(12-17)32-15-31-21)25-19(28-16)13-27(2,3)14-20(25)29/h10-12,18,24,28H,4-9,13-15H2,1-3H3