dodecyl 2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyridine-3-carboxylate

Systemtic Name: dodecyl 2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyridine-3-carboxylate Openeye Name: dodecyl 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]pyridine-3-carboxylate CAS Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-3-pyridinecarboxylic acid dodecyl ester IUPAC Name: dodecyl 2-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]pyridine-3-carboxylate Traditional Name: 2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]nicotinic acid lauryl ester Formula: C25H41N3O4 MolecularWeight: 447.61074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(N=CC=C1)C(=O)NC(C)(C(C)C)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(N=CC=C1)C(=O)NC(C)(C(C)C)C(=O)N

InChI

InChI=1S/C25H41N3O4/c1-5-6-7-8-9-10-11-12-13-14-18-32-23(30)20-16-15-17-27-21(20)22(29)28-25(4,19(2)3)24(26)31/h15-17,19H,5-14,18H2,1-4H3,(H2,26,31)(H,28,29)