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

Systemtic Name: pentyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(4-ethoxy-3-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid amyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO5/c1-5-7-8-14-31-25(28)22-16(3)26-18-10-9-11-19(27)24(18)23(22)17-12-13-20(30-6-2)21(15-17)29-4/h12-13,15,23,26H,5-11,14H2,1-4H3/t23-/m1/s1