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

Systemtic Name: 7-[(2S)-2-[4-(3-chlorophenyl)-4-oxidanyl-butyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[(2S)-2-[4-(3-chlorophenyl)-4-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[(2S)-2-[4-(3-chlorophenyl)-4-hydroxybutyl]-5-oxo-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[(2S)-2-[4-(3-chlorophenyl)-4-hydroxybutyl]-5-oxopyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[(2S)-2-[4-(3-chlorophenyl)-4-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(C1CCCC(C2=CC(=CC=C2)Cl)O)CCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClNO4/c22-17-8-5-7-16(15-17)19(24)10-6-9-18-12-13-20(25)23(18)14-4-2-1-3-11-21(26)27/h5,7-8,15,18-19,24H,1-4,6,9-14H2,(H,26,27)/t18-,19?/m0/s1