4-[3-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-3-methoxy-2-propoxy-benzoic acid

Systemtic Name: 4-[3-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-3-methoxy-2-propoxy-benzoic acid Openeye Name: 4-[3-[bis(4-fluorophenyl)methyl]-1-piperidyl]-3-methoxy-2-propoxy-benzoic acid CAS Name: 4-[3-[bis(4-fluorophenyl)methyl]-1-piperidinyl]-3-methoxy-2-propoxybenzoic acid IUPAC Name: 4-[3-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-3-methoxy-2-propoxybenzoic acid Traditional Name: 4-[3-[bis(4-fluorophenyl)methyl]piperidino]-3-methoxy-2-propoxy-benzoic acid Formula: C29H31F2NO4 MolecularWeight: 495.557546

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1OC)N2CCCC(C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1OC)N2CCCC(C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C29H31F2NO4/c1-3-17-36-27-24(29(33)34)14-15-25(28(27)35-2)32-16-4-5-21(18-32)26(19-6-10-22(30)11-7-19)20-8-12-23(31)13-9-20/h6-15,21,26H,3-5,16-18H2,1-2H3,(H,33,34)