butyl (4S,4aS)-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: butyl (4S,4aS)-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: butyl (4S,4aS)-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S,4aS)-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-5-keto-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid butyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO5/c1-5-7-14-31-25(28)22-16(3)26-18-9-8-10-19(27)24(18)23(22)17-11-12-20(30-13-6-2)21(15-17)29-4/h9,11-12,15,22-24H,5-8,10,13-14H2,1-4H3/t22?,23-,24+/m1/s1