2-propoxyethyl (4S)-4-(3-bromophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-propoxyethyl (4S)-4-(3-bromophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-propoxyethyl (4S)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-propoxyethyl ester IUPAC Name: 2-propoxyethyl (4S)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-propoxyethyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO4/c1-3-10-27-11-12-28-22(26)19-14(2)24-17-8-5-9-18(25)21(17)20(19)15-6-4-7-16(23)13-15/h4,6-7,13,20,24H,3,5,8-12H2,1-2H3/t20-/m1/s1