methyl 4-(4-cyanophenyl)-2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 4-(4-cyanophenyl)-2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(4-cyanophenyl)-2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-cyanophenyl)-2,6-dimethyl-5-[[(3-methyl-1-oxobutoxy)amino]-oxomethyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyanophenyl)-2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-5-(isovaleryloxycarbamoyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)C#N)C(=O)NOC(=O)CC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)C#N)C(=O)NOC(=O)CC(C)C

InChI

InChI=1S/C22H25N3O5/c1-12(2)10-17(26)30-25-21(27)18-13(3)24-14(4)19(22(28)29-5)20(18)16-8-6-15(11-23)7-9-16/h6-9,12,20,24H,10H2,1-5H3,(H,25,27)