butan-2-yl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: butan-2-yl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: sec-butyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid sec-butyl ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC4=C(C=C3Cl)OCO4)C

Isomeric SMILES

CCC(C)OC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC4=C(C=C3Cl)OCO4)C

InChI

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