7-[3-chloranyl-1-[4-(5,5-dimethyl-1-oxidanyl-hexyl)phenyl]pyrrolidin-2-yl]hept-6-ynoic acid

Systemtic Name: 7-[3-chloranyl-1-[4-(5,5-dimethyl-1-oxidanyl-hexyl)phenyl]pyrrolidin-2-yl]hept-6-ynoic acid Openeye Name: 7-[3-chloro-1-[4-(1-hydroxy-5,5-dimethyl-hexyl)phenyl]pyrrolidin-2-yl]hept-6-ynoic acid CAS Name: 7-[3-chloro-1-[4-(1-hydroxy-5,5-dimethylhexyl)phenyl]-2-pyrrolidinyl]-6-heptynoic acid IUPAC Name: 7-[3-chloro-1-[4-(1-hydroxy-5,5-dimethylhexyl)phenyl]pyrrolidin-2-yl]hept-6-ynoic acid Traditional Name: 7-[3-chloro-1-[4-(1-hydroxy-5,5-dimethyl-hexyl)phenyl]pyrrolidin-2-yl]hept-6-ynoic acid Formula: C25H36ClNO3 MolecularWeight: 434.01124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCC(C1=CC=C(C=C1)N2CCC(C2C#CCCCCC(=O)O)Cl)O

Isomeric SMILES

CC(C)(C)CCCC(C1=CC=C(C=C1)N2CCC(C2C#CCCCCC(=O)O)Cl)O

InChI

InChI=1S/C25H36ClNO3/c1-25(2,3)17-8-10-23(28)19-12-14-20(15-13-19)27-18-16-21(26)22(27)9-6-4-5-7-11-24(29)30/h12-15,21-23,28H,4-5,7-8,10-11,16-18H2,1-3H3,(H,29,30)