7-[(2S)-2-[4-(4-chlorophenyl)-3-oxidanyl-butyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid

Systemtic Name: 7-[(2S)-2-[4-(4-chlorophenyl)-3-oxidanyl-butyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[(2S)-2-[4-(4-chlorophenyl)-3-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[(2S)-2-[4-(4-chlorophenyl)-3-hydroxybutyl]-5-oxo-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[(2S)-2-[4-(4-chlorophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[(2S)-2-[4-(4-chlorophenyl)-3-hydroxy-butyl]-5-keto-pyrrolidino]enanthic acid Formula: C21H30ClNO4 MolecularWeight: 395.9202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CCC(CC2=CC=C(C=C2)Cl)O)CCCCCCC(=O)O

Isomeric SMILES

C1CC(=O)N([C@H]1CCC(CC2=CC=C(C=C2)Cl)O)CCCCCCC(=O)O

InChI

InChI=1S/C21H30ClNO4/c22-17-8-6-16(7-9-17)15-19(24)12-10-18-11-13-20(25)23(18)14-4-2-1-3-5-21(26)27/h6-9,18-19,24H,1-5,10-15H2,(H,26,27)/t18-,19?/m0/s1