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

Systemtic Name: 4-[[1-[4-[(1-oxidanylcyclohexyl)methoxy]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-[4-[(1-hydroxycyclohexyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[1-[4-[(1-hydroxycyclohexyl)methoxy]phenyl]-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-[4-[(1-hydroxycyclohexyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[1-[4-[(1-hydroxycyclohexyl)methoxy]phenyl]-5-keto-pyrrolidin-3-yl]methoxy]benzoic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(COC2=CC=C(C=C2)N3CC(CC3=O)COC4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)(COC2=CC=C(C=C2)N3CC(CC3=O)COC4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C25H29NO6/c27-23-14-18(16-31-21-8-4-19(5-9-21)24(28)29)15-26(23)20-6-10-22(11-7-20)32-17-25(30)12-2-1-3-13-25/h4-11,18,30H,1-3,12-17H2,(H,28,29)