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

Systemtic Name: propan-2-yl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isopropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isopropyl ester Formula: C28H28BrNO6 MolecularWeight: 554.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Br)OCO5)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Br)OCO5)C(=O)OC(C)C

InChI

InChI=1S/C28H28BrNO6/c1-14(2)36-28(32)25-15(3)30-21-9-17(16-5-7-18(33-4)8-6-16)10-22(31)27(21)26(25)19-11-23-24(12-20(19)29)35-13-34-23/h5-9,11-12,14,17,26-27,30H,10,13H2,1-4H3