phenethyl (4R)-4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl (4R)-4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4R)-4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(2,4-dichlorophenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C27H27Cl2NO3 MolecularWeight: 484.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl)C(=O)CC(C2)(C)C

InChI

InChI=1S/C27H27Cl2NO3/c1-16-23(26(32)33-12-11-17-7-5-4-6-8-17)24(19-10-9-18(28)13-20(19)29)25-21(30-16)14-27(2,3)15-22(25)31/h4-10,13,23-24H,11-12,14-15H2,1-3H3/t23?,24-/m1/s1