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

Systemtic Name: cyclohexyl (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (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 cyclohexyl ester IUPAC Name: cyclohexyl (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 cyclohexyl ester Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C27H35NO4/c1-5-31-19-13-11-18(12-14-19)24-23(26(30)32-20-9-7-6-8-10-20)17(2)28-21-15-27(3,4)16-22(29)25(21)24/h11-14,20,24-25H,5-10,15-16H2,1-4H3/t24-,25?/m1/s1