diethyl 2-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-6-[2-(4-fluorophenyl)ethyl]-4-(p-tolyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)-6-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidin-1-iumyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-6-[2-(4-fluorophenyl)ethyl]-4-(p-tolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C35H44FN2O6+ MolecularWeight: 607.732063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C(=O)OCC)[N+]3(CCCC3)C(=O)OC(C)(C)C)CCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C(=O)OCC)[N+]3(CCCC3)C(=O)OC(C)(C)C)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C35H43FN2O6/c1-7-42-32(39)29-27(20-15-24-13-18-26(36)19-14-24)37-31(38(21-9-10-22-38)34(41)44-35(4,5)6)30(33(40)43-8-2)28(29)25-16-11-23(3)12-17-25/h11-14,16-19,28H,7-10,15,20-22H2,1-6H3/p+1