methyl 2-methyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2-methyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2-methyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2-methyl-5-[[(3-methyl-1-oxobutoxy)amino]-oxomethyl]-4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(isovaleryloxycarbamoyl)-2-methyl-4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C26H27N3O7 MolecularWeight: 493.50848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)NOC(=O)CC(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)NOC(=O)CC(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C26H27N3O7/c1-15(2)13-20(30)36-28-25(31)23-22(18-11-8-12-19(14-18)29(33)34)21(26(32)35-4)16(3)27-24(23)17-9-6-5-7-10-17/h5-12,14-15,22,27H,13H2,1-4H3,(H,28,31)