pentyl (4R)-4-(3-bromophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: pentyl (4R)-4-(3-bromophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (4R)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-4-(3-bromophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO3/c1-3-4-5-12-27-22(26)19-14(2)24-17-10-7-11-18(25)21(17)20(19)15-8-6-9-16(23)13-15/h6,8-9,13,19-20H,3-5,7,10-12H2,1-2H3/t19?,20-/m0/s1