3-[[1-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-6-oxidanylidene-piperidin-2-yl]methoxymethyl]benzoic acid

Systemtic Name: 3-[[1-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-6-oxidanylidene-piperidin-2-yl]methoxymethyl]benzoic acid Openeye Name: 3-[[1-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-6-oxo-2-piperidyl]methoxymethyl]benzoic acid CAS Name: 3-[[1-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-6-oxo-2-piperidinyl]methoxymethyl]benzoic acid IUPAC Name: 3-[[1-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-6-oxopiperidin-2-yl]methoxymethyl]benzoic acid Traditional Name: 3-[[1-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-6-keto-2-piperidyl]methoxymethyl]benzoic acid Formula: C28H37NO5 MolecularWeight: 467.59708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C1=CC=C(C=C1)N2C(CCCC2=O)COCC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CCCCC(C(C)(C)C1=CC=C(C=C1)N2C(CCCC2=O)COCC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C28H37NO5/c1-4-5-11-25(30)28(2,3)22-13-15-23(16-14-22)29-24(10-7-12-26(29)31)19-34-18-20-8-6-9-21(17-20)27(32)33/h6,8-9,13-17,24-25,30H,4-5,7,10-12,18-19H2,1-3H3,(H,32,33)