2-phenoxyethyl (4S,7R)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl (4S,7R)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S,7R)-2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S,7R)-2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-4-(3-nitrophenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C31H28N2O6 MolecularWeight: 524.56382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C[C@@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O6/c1-20-28(31(35)39-16-15-38-25-13-6-3-7-14-25)29(22-11-8-12-24(17-22)33(36)37)30-26(32-20)18-23(19-27(30)34)21-9-4-2-5-10-21/h2-14,17,23,28-29H,15-16,18-19H2,1H3/t23-,28?,29-/m1/s1