pentyl (4S)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: pentyl (4S)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(3-bromo-4-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid amyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CCC2)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(C=C3)OC)Br)C(=O)CCC2)C

InChI

InChI=1S/C23H28BrNO4/c1-4-5-6-12-29-23(27)20-14(2)25-17-8-7-9-18(26)22(17)21(20)15-10-11-19(28-3)16(24)13-15/h10-11,13,21,25H,4-9,12H2,1-3H3/t21-/m1/s1