ethyl 5-[6-[[2,4-bis(fluoranyl)phenyl]methyl]-3-ethoxycarbonyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-1,4-dihydropyridin-4-yl]pyrazine-2-carboxylate

Systemtic Name: ethyl 5-[6-[[2,4-bis(fluoranyl)phenyl]methyl]-3-ethoxycarbonyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-1,4-dihydropyridin-4-yl]pyrazine-2-carboxylate Openeye Name: ethyl 5-[2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-6-[(2,4-difluorophenyl)methyl]-3-ethoxycarbonyl-1,4-dihydropyridin-4-yl]pyrazine-2-carboxylate CAS Name: 5-[6-[(2,4-difluorophenyl)methyl]-3-ethoxycarbonyl-2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidin-1-iumyl]-1,4-dihydropyridin-4-yl]-2-pyrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[6-[(2,4-difluorophenyl)methyl]-3-ethoxycarbonyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-1,4-dihydropyridin-4-yl]pyrazine-2-carboxylate Traditional Name: 5-[2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-3-carbethoxy-6-(2,4-difluorobenzyl)-1,4-dihydropyridin-4-yl]pyrazinic acid ethyl ester Formula: C31H37F2N4O6+ MolecularWeight: 599.645486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=N1)C2C=C(NC(=C2C(=O)OCC)[N+]3(CCCC3)C(=O)OC(C)(C)C)CC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(C=N1)C2C=C(NC(=C2C(=O)OCC)[N+]3(CCCC3)C(=O)OC(C)(C)C)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C31H36F2N4O6/c1-6-41-28(38)25-18-34-24(17-35-25)22-16-21(14-19-10-11-20(32)15-23(19)33)36-27(26(22)29(39)42-7-2)37(12-8-9-13-37)30(40)43-31(3,4)5/h10-11,15-18,22H,6-9,12-14H2,1-5H3/p+1