3-[4-[[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-[[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-[[4-[(2-cyclohexyl-1-pyrrolidinyl)methyl]phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-[(2-cyclohexylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-[(2-cyclohexylpyrrolidino)methyl]benzyl]oxyphenyl]propionic acid Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCCN2CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2CCCN2CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C27H35NO3/c29-27(30)17-14-21-12-15-25(16-13-21)31-20-23-10-8-22(9-11-23)19-28-18-4-7-26(28)24-5-2-1-3-6-24/h8-13,15-16,24,26H,1-7,14,17-20H2,(H,29,30)