2-[4-[3-[3-[cyano-bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-3-methoxy-phenyl]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[4-[3-[3-[cyano-bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-3-methoxy-phenyl]-2-oxidanyl-ethanoic acid Openeye Name: 2-[4-[3-[3-[cyano-bis(4-fluorophenyl)methyl]-1-piperidyl]propoxy]-3-methoxy-phenyl]-2-hydroxy-acetic acid CAS Name: 2-[4-[3-[3-[cyano-bis(4-fluorophenyl)methyl]-1-piperidinyl]propoxy]-3-methoxyphenyl]-2-hydroxyacetic acid IUPAC Name: 2-[4-[3-[3-[cyano-bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]-2-hydroxyacetic acid Traditional Name: 2-[4-[3-[3-[cyano-bis(4-fluorophenyl)methyl]piperidino]propoxy]-3-methoxy-phenyl]-2-hydroxy-acetic acid Formula: C31H32F2N2O5 MolecularWeight: 550.592986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)O)O)OCCCN2CCCC(C2)C(C#N)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)O)O)OCCCN2CCCC(C2)C(C#N)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C31H32F2N2O5/c1-39-28-18-21(29(36)30(37)38)5-14-27(28)40-17-3-16-35-15-2-4-24(19-35)31(20-34,22-6-10-25(32)11-7-22)23-8-12-26(33)13-9-23/h5-14,18,24,29,36H,2-4,15-17,19H2,1H3,(H,37,38)