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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-ethyl-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-ethyl-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OCC

InChI

InChI=1S/C23H27NO5/c1-5-14-21(22(26)27-6-2)19(13-7-8-17-18(9-13)29-12-28-17)20-15(24-14)10-23(3,4)11-16(20)25/h7-9,19,24H,5-6,10-12H2,1-4H3