(phenylmethyl) (4S,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (4S,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: benzyl (4S,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(3-chlorophenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid benzyl ester Formula: C24H22ClNO3 MolecularWeight: 407.88938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=CC=C3)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)CCCC2=O)C3=CC(=CC=C3)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22ClNO3/c1-15-21(24(28)29-14-16-7-3-2-4-8-16)22(17-9-5-10-18(25)13-17)23-19(26-15)11-6-12-20(23)27/h2-5,7-10,13,22-23H,6,11-12,14H2,1H3/t22-,23-/m0/s1