5-[3-[1-[4-(3-methyl-1-oxidanyl-butyl)phenyl]-6-oxidanylidene-piperidin-2-yl]propyl]furan-2-carboxylic acid

Systemtic Name: 5-[3-[1-[4-(3-methyl-1-oxidanyl-butyl)phenyl]-6-oxidanylidene-piperidin-2-yl]propyl]furan-2-carboxylic acid Openeye Name: 5-[3-[1-[4-(1-hydroxy-3-methyl-butyl)phenyl]-6-oxo-2-piperidyl]propyl]furan-2-carboxylic acid CAS Name: 5-[3-[1-[4-(1-hydroxy-3-methylbutyl)phenyl]-6-oxo-2-piperidinyl]propyl]-2-furancarboxylic acid IUPAC Name: 5-[3-[1-[4-(1-hydroxy-3-methylbutyl)phenyl]-6-oxopiperidin-2-yl]propyl]furan-2-carboxylic acid Traditional Name: 5-[3-[1-[4-(1-hydroxy-3-methyl-butyl)phenyl]-6-keto-2-piperidyl]propyl]-2-furoic acid Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=C(C=C1)N2C(CCCC2=O)CCCC3=CC=C(O3)C(=O)O)O

Isomeric SMILES

CC(C)CC(C1=CC=C(C=C1)N2C(CCCC2=O)CCCC3=CC=C(O3)C(=O)O)O

InChI

InChI=1S/C24H31NO5/c1-16(2)15-21(26)17-9-11-19(12-10-17)25-18(6-4-8-23(25)27)5-3-7-20-13-14-22(30-20)24(28)29/h9-14,16,18,21,26H,3-8,15H2,1-2H3,(H,28,29)