pentyl (4S)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: pentyl (4S)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C24H30BrNO5 MolecularWeight: 492.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCCCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C24H30BrNO5/c1-5-6-7-11-31-24(28)21-14(2)26-17-9-8-10-18(27)23(17)22(21)15-12-19(29-3)20(30-4)13-16(15)25/h12-13,21-22H,5-11H2,1-4H3/t21?,22-/m0/s1