7-[(2S)-2-[4-(2-chlorophenyl)-4-oxidanyl-butyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid

Systemtic Name: 7-[(2S)-2-[4-(2-chlorophenyl)-4-oxidanyl-butyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[(2S)-2-[4-(2-chlorophenyl)-4-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[(2S)-2-[4-(2-chlorophenyl)-4-hydroxybutyl]-5-oxo-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[(2S)-2-[4-(2-chlorophenyl)-4-hydroxybutyl]-5-oxopyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[(2S)-2-[4-(2-chlorophenyl)-4-hydroxy-butyl]-5-keto-pyrrolidino]enanthic acid Formula: C21H30ClNO4 MolecularWeight: 395.9202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CCCC(C2=CC=CC=C2Cl)O)CCCCCCC(=O)O

Isomeric SMILES

C1CC(=O)N([C@H]1CCCC(C2=CC=CC=C2Cl)O)CCCCCCC(=O)O

InChI

InChI=1S/C21H30ClNO4/c22-18-10-5-4-9-17(18)19(24)11-7-8-16-13-14-20(25)23(16)15-6-2-1-3-12-21(26)27/h4-5,9-10,16,19,24H,1-3,6-8,11-15H2,(H,26,27)/t16-,19?/m0/s1