2-[3-[[4-[5-[(4-ethoxyphenyl)methyl]-2-(2-fluoranylethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[3-[[4-[5-[(4-ethoxyphenyl)methyl]-2-(2-fluoranylethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[3-[[4-[5-[(4-ethoxyphenyl)methyl]-2-(2-fluoroethyl)pyrazol-3-yl]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3,3-dimethyl-butanoic acid CAS Name: 2-[3-[[4-[5-[(4-ethoxyphenyl)methyl]-2-(2-fluoroethyl)-3-pyrazolyl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)-1-pyrrolidinyl]-3,3-dimethylbutanoic acid IUPAC Name: 2-[3-[[4-[5-[(4-ethoxyphenyl)methyl]-2-(2-fluoroethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid Traditional Name: 2-[3-[[4-[5-(4-ethoxybenzyl)-2-(2-fluoroethyl)pyrazol-3-yl]piperidino]methyl]-4-(3-fluorophenyl)pyrrolidino]-3,3-dimethyl-butyric acid Formula: C36H48F2N4O3 MolecularWeight: 622.788126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NN(C(=C2)C3CCN(CC3)CC4CN(CC4C5=CC(=CC=C5)F)C(C(=O)O)C(C)(C)C)CCF

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NN(C(=C2)C3CCN(CC3)CC4CN(CC4C5=CC(=CC=C5)F)C(C(=O)O)C(C)(C)C)CCF

InChI

InChI=1S/C36H48F2N4O3/c1-5-45-31-11-9-25(10-12-31)19-30-21-33(42(39-30)18-15-37)26-13-16-40(17-14-26)22-28-23-41(34(35(43)44)36(2,3)4)24-32(28)27-7-6-8-29(38)20-27/h6-12,20-21,26,28,32,34H,5,13-19,22-24H2,1-4H3,(H,43,44)