methyl 4-(1,3-benzodioxol-5-ylcarbamoyl)-1-(4-fluorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylcarbamoyl)-1-(4-fluorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylcarbamoyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate CAS Name: 4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylcarbamoyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylcarbamoyl)-1-(4-fluorophenyl)-2-keto-6-methyl-3,4-dihydropyridine-5-carboxylic acid methyl ester Formula: C22H19FN2O6 MolecularWeight: 426.394463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(CC(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C22H19FN2O6/c1-12-20(22(28)29-2)16(10-19(26)25(12)15-6-3-13(23)4-7-15)21(27)24-14-5-8-17-18(9-14)31-11-30-17/h3-9,16H,10-11H2,1-2H3,(H,24,27)