methyl 2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-6-(4-methylphenyl)pyridine-3-carboxylate

Systemtic Name: methyl 2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-6-(4-methylphenyl)pyridine-3-carboxylate Openeye Name: methyl 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-6-(p-tolyl)pyridine-3-carboxylate CAS Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-6-(4-methylphenyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-6-(4-methylphenyl)pyridine-3-carboxylate Traditional Name: 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-6-(p-tolyl)nicotinic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)OC)C(=O)NC(C)(C(C)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)OC)C(=O)NC(C)(C(C)C)C(=O)N

InChI

InChI=1S/C21H25N3O4/c1-12(2)21(4,20(22)27)24-18(25)17-15(19(26)28-5)10-11-16(23-17)14-8-6-13(3)7-9-14/h6-12H,1-5H3,(H2,22,27)(H,24,25)