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

Systemtic Name: cyclopentyl (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-p-phenetyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C26H33NO4/c1-5-30-18-12-10-17(11-13-18)23-22(25(29)31-19-8-6-7-9-19)16(2)27-20-14-26(3,4)15-21(28)24(20)23/h10-13,19,23-24H,5-9,14-15H2,1-4H3/t23-,24?/m1/s1