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

Systemtic Name: 2-methylpropyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C28H28ClNO5 MolecularWeight: 493.97862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4Cl)OCO5)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4Cl)OCO5)C(=O)OCC(C)C

InChI

InChI=1S/C28H28ClNO5/c1-15(2)13-33-28(32)25-16(3)30-21-9-18(17-7-5-4-6-8-17)10-22(31)27(21)26(25)19-11-23-24(12-20(19)29)35-14-34-23/h4-9,11-12,15,18,26-27,30H,10,13-14H2,1-3H3