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

Systemtic Name: methyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(6-bromo-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-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(6-bromo-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-bromo-1,3-benzodioxol-5-yl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC)C3=CC4=C(C=C3Br)OCO4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC)C3=CC4=C(C=C3Br)OCO4)C(=O)C1)C

InChI

InChI=1S/C21H22BrNO5/c1-10-17(20(25)26-4)18(11-5-15-16(6-12(11)22)28-9-27-15)19-13(23-10)7-21(2,3)8-14(19)24/h5-6,17-18,23H,1,7-9H2,2-4H3