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

Systemtic Name: pentyl (4S)-4-(4-ethylphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(4-ethylphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid amyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)CC)C(=O)CCC2)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-4-6-7-15-28-24(27)21-16(3)25-19-9-8-10-20(26)23(19)22(21)18-13-11-17(5-2)12-14-18/h11-14,22,25H,4-10,15H2,1-3H3/t22-/m1/s1