3-[[1-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-3-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]benzoic acid

Systemtic Name: 3-[[1-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-3-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]benzoic acid Openeye Name: 3-[[1-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-3-oxo-pyrrolidin-2-yl]methoxymethyl]benzoic acid CAS Name: 3-[[1-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-3-oxo-2-pyrrolidinyl]methoxymethyl]benzoic acid IUPAC Name: 3-[[1-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-3-oxopyrrolidin-2-yl]methoxymethyl]benzoic acid Traditional Name: 3-[[1-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-3-keto-pyrrolidin-2-yl]methoxymethyl]benzoic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C1=CC=C(C=C1)N2CCC(=O)C2COCC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CCCCC(C(C)(C)C1=CC=C(C=C1)N2CCC(=O)C2COCC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C27H35NO5/c1-4-5-9-25(30)27(2,3)21-10-12-22(13-11-21)28-15-14-24(29)23(28)18-33-17-19-7-6-8-20(16-19)26(31)32/h6-8,10-13,16,23,25,30H,4-5,9,14-15,17-18H2,1-3H3,(H,31,32)