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

Systemtic Name: cyclopentyl (4R)-4-(3-methoxy-4-propoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (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 cyclopentyl ester IUPAC Name: cyclopentyl (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 cyclopentyl ester Formula: C28H37NO5 MolecularWeight: 467.59708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C)OC

InChI

InChI=1S/C28H37NO5/c1-6-13-33-22-12-11-18(14-23(22)32-5)25-24(27(31)34-19-9-7-8-10-19)17(2)29-20-15-28(3,4)16-21(30)26(20)25/h11-12,14,19,25-26H,6-10,13,15-16H2,1-5H3/t25-,26?/m1/s1