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

Systemtic Name: pentyl (4S,4aS)-4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (4S,4aS)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S,4aS)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(4-acetoxyphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5/c1-4-5-6-14-29-24(28)21-15(2)25-19-8-7-9-20(27)23(19)22(21)17-10-12-18(13-11-17)30-16(3)26/h8,10-13,21-23H,4-7,9,14H2,1-3H3/t21?,22-,23+/m1/s1