4-[[1-(4-hexylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid

Systemtic Name: 4-[[1-(4-hexylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-(4-hexylphenyl)-5-oxo-pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[1-(4-hexylphenyl)-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-(4-hexylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[1-(4-hexylphenyl)-5-keto-pyrrolidin-3-yl]methoxy]benzoic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H29NO4/c1-2-3-4-5-6-18-7-11-21(12-8-18)25-16-19(15-23(25)26)17-29-22-13-9-20(10-14-22)24(27)28/h7-14,19H,2-6,15-17H2,1H3,(H,27,28)