2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-6-butoxy-pyridine-3-carboxylic acid

Systemtic Name: 2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-6-butoxy-pyridine-3-carboxylic acid Openeye Name: 6-butoxy-2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]pyridine-3-carboxylic acid CAS Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-6-butoxy-3-pyridinecarboxylic acid IUPAC Name: 2-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-6-butoxypyridine-3-carboxylic acid Traditional Name: 6-butoxy-2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]nicotinic acid Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=C(C=C1)C(=O)O)C(=O)NC(C)(C(C)C)C(=O)N

Isomeric SMILES

CCCCOC1=NC(=C(C=C1)C(=O)O)C(=O)NC(C)(C(C)C)C(=O)N

InChI

InChI=1S/C17H25N3O5/c1-5-6-9-25-12-8-7-11(15(22)23)13(19-12)14(21)20-17(4,10(2)3)16(18)24/h7-8,10H,5-6,9H2,1-4H3,(H2,18,24)(H,20,21)(H,22,23)