2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfanyloctanoic acid

Systemtic Name: 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfanyloctanoic acid Openeye Name: 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfanyloctanoic acid CAS Name: 2-[[4-[(1-methyl-3-pyrrolidinyl)oxy]phenyl]thio]octanoic acid IUPAC Name: 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfanyloctanoic acid Traditional Name: 2-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]thio]caprylic acid Formula: C19H29NO3S MolecularWeight: 351.50346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OC2CCN(C2)C

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OC2CCN(C2)C

InChI

InChI=1S/C19H29NO3S/c1-3-4-5-6-7-18(19(21)22)24-17-10-8-15(9-11-17)23-16-12-13-20(2)14-16/h8-11,16,18H,3-7,12-14H2,1-2H3,(H,21,22)