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

Systemtic Name: 3-[4-[[4-[(2-phenethylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-[[4-[(2-phenethylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-[[4-[(2-phenethyl-1-pyrrolidinyl)methyl]phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-[(2-phenethylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-[(2-phenethylpyrrolidino)methyl]benzyl]oxyphenyl]propionic acid Formula: C29H33NO3 MolecularWeight: 443.57722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)CCC(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)CCC(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H33NO3/c31-29(32)19-15-24-13-17-28(18-14-24)33-22-26-10-8-25(9-11-26)21-30-20-4-7-27(30)16-12-23-5-2-1-3-6-23/h1-3,5-6,8-11,13-14,17-18,27H,4,7,12,15-16,19-22H2,(H,31,32)