butyl (4R)-4-(3-bromanyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4R)-4-(3-bromanyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4R)-4-(3-bromo-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4R)-4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C24H30BrNO4 MolecularWeight: 476.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C24H30BrNO4/c1-6-7-10-30-23(28)20-14(2)26-17-12-24(3,4)13-18(27)22(17)21(20)15-8-9-19(29-5)16(25)11-15/h8-9,11,20-21H,6-7,10,12-13H2,1-5H3/t20?,21-/m0/s1