3-[[1-[4-[(1S)-1-oxidanylhexyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]benzoic acid

Systemtic Name: 3-[[1-[4-[(1S)-1-oxidanylhexyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]benzoic acid Openeye Name: 3-[[1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxo-pyrrolidin-2-yl]methoxymethyl]benzoic acid CAS Name: 3-[[1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxo-2-pyrrolidinyl]methoxymethyl]benzoic acid IUPAC Name: 3-[[1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]benzoic acid Traditional Name: 3-[[1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-keto-pyrrolidin-2-yl]methoxymethyl]benzoic acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)N2C(CCC2=O)COCC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CCCCC[C@@H](C1=CC=C(C=C1)N2C(CCC2=O)COCC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C25H31NO5/c1-2-3-4-8-23(27)19-9-11-21(12-10-19)26-22(13-14-24(26)28)17-31-16-18-6-5-7-20(15-18)25(29)30/h5-7,9-12,15,22-23,27H,2-4,8,13-14,16-17H2,1H3,(H,29,30)/t22?,23-/m0/s1