3-[3-[3-chloranyl-1-(4-hexylphenyl)pyrrolidin-2-yl]phenoxy]propanoic acid

Systemtic Name: 3-[3-[3-chloranyl-1-(4-hexylphenyl)pyrrolidin-2-yl]phenoxy]propanoic acid Openeye Name: 3-[3-[3-chloro-1-(4-hexylphenyl)pyrrolidin-2-yl]phenoxy]propanoic acid CAS Name: 3-[3-[3-chloro-1-(4-hexylphenyl)-2-pyrrolidinyl]phenoxy]propanoic acid IUPAC Name: 3-[3-[3-chloro-1-(4-hexylphenyl)pyrrolidin-2-yl]phenoxy]propanoic acid Traditional Name: 3-[3-[3-chloro-1-(4-hexylphenyl)pyrrolidin-2-yl]phenoxy]propionic acid Formula: C25H32ClNO3 MolecularWeight: 429.97948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2CCC(C2C3=CC(=CC=C3)OCCC(=O)O)Cl

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2CCC(C2C3=CC(=CC=C3)OCCC(=O)O)Cl

InChI

InChI=1S/C25H32ClNO3/c1-2-3-4-5-7-19-10-12-21(13-11-19)27-16-14-23(26)25(27)20-8-6-9-22(18-20)30-17-15-24(28)29/h6,8-13,18,23,25H,2-5,7,14-17H2,1H3,(H,28,29)