pentyl (4R)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: pentyl (4R)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4R)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3,4-dimethoxyphenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H35NO5/c1-7-8-9-12-32-25(29)22-16(2)27-18-14-26(3,4)15-19(28)24(18)23(22)17-10-11-20(30-5)21(13-17)31-6/h10-11,13,22-23H,7-9,12,14-15H2,1-6H3/t22?,23-/m0/s1