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

Systemtic Name: pentyl (4S,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (4S,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(3-chlorophenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCOC(=O)C1[C@H]([C@@H]2C(=O)CCC=C2N=C1C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClNO3/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/h6,8-10,13,19-21H,3-5,7,11-12H2,1-2H3/t19?,20-,21+/m1/s1