cyclopentyl (4R)-4-(3-iodanylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl (4R)-4-(3-iodanylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4R)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4R)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-iodophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C24H28INO3 MolecularWeight: 505.38849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)I)C(=O)OC4CCCC4

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)I)C(=O)OC4CCCC4

InChI

InChI=1S/C24H28INO3/c1-14-20(23(28)29-17-9-4-5-10-17)21(15-7-6-8-16(25)11-15)22-18(26-14)12-24(2,3)13-19(22)27/h6-8,11,17,21,26H,4-5,9-10,12-13H2,1-3H3/t21-/m0/s1