4-[3,5-bis(ethoxycarbonyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-6-[3,3,3-tris(fluoranyl)propyl]pyridin-4-yl]benzoic acid

Systemtic Name: 4-[3,5-bis(ethoxycarbonyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-6-[3,3,3-tris(fluoranyl)propyl]pyridin-4-yl]benzoic acid Openeye Name: 4-[2-(1-tert-butoxycarbonylpyrrolidin-2-yl)-3,5-bis(ethoxycarbonyl)-6-(3,3,3-trifluoropropyl)-4-pyridyl]benzoic acid CAS Name: 4-[3,5-bis(ethoxycarbonyl)-2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]-6-(3,3,3-trifluoropropyl)-4-pyridinyl]benzoic acid IUPAC Name: 4-[3,5-bis(ethoxycarbonyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-6-(3,3,3-trifluoropropyl)pyridin-4-yl]benzoic acid Traditional Name: 4-[2-(1-tert-butoxycarbonylpyrrolidin-2-yl)-3,5-dicarbethoxy-6-(3,3,3-trifluoropropyl)-4-pyridyl]benzoic acid Formula: C30H35F3N2O8 MolecularWeight: 608.60271

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)C(=O)O)C(=O)OCC)C3CCCN3C(=O)OC(C)(C)C)CCC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)C(=O)O)C(=O)OCC)C3CCCN3C(=O)OC(C)(C)C)CCC(F)(F)F

InChI

InChI=1S/C30H35F3N2O8/c1-6-41-26(38)22-19(14-15-30(31,32)33)34-24(20-9-8-16-35(20)28(40)43-29(3,4)5)23(27(39)42-7-2)21(22)17-10-12-18(13-11-17)25(36)37/h10-13,20H,6-9,14-16H2,1-5H3,(H,36,37)