cyclopentyl (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCC3)C4=CC=C(C=C4)I)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCC3)C4=CC=C(C=C4)I)C(=O)CC(C2)(C)C

InChI

InChI=1S/C24H28INO3/c1-14-20(23(28)29-17-6-4-5-7-17)21(15-8-10-16(25)11-9-15)22-18(26-14)12-24(2,3)13-19(22)27/h8-11,17,20-21H,4-7,12-13H2,1-3H3/t20?,21-/m1/s1