propan-2-yl 4-(3-bromanyl-4-methoxy-phenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl 4-(3-bromanyl-4-methoxy-phenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl 4-(3-bromo-4-methoxy-phenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-bromo-4-methoxyphenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-7-keto-2,5,5-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC(C)C

InChI

InChI=1S/C23H28BrNO4/c1-12(2)29-22(27)19-13(3)25-17-10-15(26)11-23(4,5)21(17)20(19)14-7-8-18(28-6)16(24)9-14/h7-9,12,20,25H,10-11H2,1-6H3