ethyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)NC1=C)C3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)NC1=C)C3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C22H24ClNO5/c1-5-27-21(26)18-11(2)24-14-8-22(3,4)9-15(25)20(14)19(18)12-6-16-17(7-13(12)23)29-10-28-16/h6-7,18-19,24H,2,5,8-10H2,1,3-4H3