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

Systemtic Name: cyclohexyl (4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(4-ethylphenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C27H35NO3 MolecularWeight: 421.5717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C27H35NO3/c1-5-18-11-13-19(14-12-18)24-23(26(30)31-20-9-7-6-8-10-20)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