3-[5-[3-chloranyl-1-(4-hexylphenyl)pyrrolidin-2-yl]-2-methyl-phenoxy]propanoic acid

Systemtic Name: 3-[5-[3-chloranyl-1-(4-hexylphenyl)pyrrolidin-2-yl]-2-methyl-phenoxy]propanoic acid Openeye Name: 3-[5-[3-chloro-1-(4-hexylphenyl)pyrrolidin-2-yl]-2-methyl-phenoxy]propanoic acid CAS Name: 3-[5-[3-chloro-1-(4-hexylphenyl)-2-pyrrolidinyl]-2-methylphenoxy]propanoic acid IUPAC Name: 3-[5-[3-chloro-1-(4-hexylphenyl)pyrrolidin-2-yl]-2-methylphenoxy]propanoic acid Traditional Name: 3-[5-[3-chloro-1-(4-hexylphenyl)pyrrolidin-2-yl]-2-methyl-phenoxy]propionic acid Formula: C26H34ClNO3 MolecularWeight: 444.00606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClNO3/c1-3-4-5-6-7-20-9-12-22(13-10-20)28-16-14-23(27)26(28)21-11-8-19(2)24(18-21)31-17-15-25(29)30/h8-13,18,23,26H,3-7,14-17H2,1-2H3,(H,29,30)