7-[6-oxidanylidene-1-[4-[oxidanyl-(1-oxidanylcyclobutyl)methyl]phenyl]piperidin-2-yl]hept-5-ynoic acid

Systemtic Name: 7-[6-oxidanylidene-1-[4-[oxidanyl-(1-oxidanylcyclobutyl)methyl]phenyl]piperidin-2-yl]hept-5-ynoic acid Openeye Name: 7-[1-[4-[hydroxy-(1-hydroxycyclobutyl)methyl]phenyl]-6-oxo-2-piperidyl]hept-5-ynoic acid CAS Name: 7-[1-[4-[hydroxy-(1-hydroxycyclobutyl)methyl]phenyl]-6-oxo-2-piperidinyl]-5-heptynoic acid IUPAC Name: 7-[1-[4-[hydroxy-(1-hydroxycyclobutyl)methyl]phenyl]-6-oxopiperidin-2-yl]hept-5-ynoic acid Traditional Name: 7-[1-[4-[hydroxy-(1-hydroxycyclobutyl)methyl]phenyl]-6-keto-2-piperidyl]hept-5-ynoic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)C2=CC=C(C=C2)C(C3(CCC3)O)O)CC#CCCCC(=O)O

Isomeric SMILES

C1CC(N(C(=O)C1)C2=CC=C(C=C2)C(C3(CCC3)O)O)CC#CCCCC(=O)O

InChI

InChI=1S/C23H29NO5/c25-20-9-5-8-18(7-3-1-2-4-10-21(26)27)24(20)19-13-11-17(12-14-19)22(28)23(29)15-6-16-23/h11-14,18,22,28-29H,2,4-10,15-16H2,(H,26,27)