5-ethoxycarbonyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-ethoxycarbonyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-ethoxycarbonyl-4-(4-fluorophenyl)-2,6-diisopropyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-ethoxycarbonyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-ethoxycarbonyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-carbethoxy-4-(4-fluorophenyl)-2,6-diisopropyl-1,4-dihydropyridine-3-carboxylate Formula: C21H25FNO4- MolecularWeight: 374.425903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)F)C(=O)[O-])C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)F)C(=O)[O-])C(C)C)C(C)C

InChI

InChI=1S/C21H26FNO4/c1-6-27-21(26)17-15(13-7-9-14(22)10-8-13)16(20(24)25)18(11(2)3)23-19(17)12(4)5/h7-12,15,23H,6H2,1-5H3,(H,24,25)/p-1