ethyl (4R)-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4R)-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4R)-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)(C)C)OC

InChI

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