4-[1-[4-[2-(3-methylpyridin-2-yl)ethyl]phenoxy]carbonylpiperidin-4-yl]oxybenzoic acid

Systemtic Name: 4-[1-[4-[2-(3-methylpyridin-2-yl)ethyl]phenoxy]carbonylpiperidin-4-yl]oxybenzoic acid Openeye Name: 4-[[1-[4-[2-(3-methyl-2-pyridyl)ethyl]phenoxy]carbonyl-4-piperidyl]oxy]benzoic acid CAS Name: 4-[[1-[[4-[2-(3-methyl-2-pyridinyl)ethyl]phenoxy]-oxomethyl]-4-piperidinyl]oxy]benzoic acid IUPAC Name: 4-[1-[4-[2-(3-methylpyridin-2-yl)ethyl]phenoxy]carbonylpiperidin-4-yl]oxybenzoic acid Traditional Name: 4-[[1-[4-[2-(3-methyl-2-pyridyl)ethyl]phenoxy]carbonyl-4-piperidyl]oxy]benzoic acid Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CCC2=CC=C(C=C2)OC(=O)N3CCC(CC3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)CCC2=CC=C(C=C2)OC(=O)N3CCC(CC3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H28N2O5/c1-19-3-2-16-28-25(19)13-6-20-4-9-23(10-5-20)34-27(32)29-17-14-24(15-18-29)33-22-11-7-21(8-12-22)26(30)31/h2-5,7-12,16,24H,6,13-15,17-18H2,1H3,(H,30,31)