(3-azanyl-6-butyl-1,2-dihydropyridin-2-yl) 2-oxidanylidenepropanoate

Systemtic Name: (3-azanyl-6-butyl-1,2-dihydropyridin-2-yl) 2-oxidanylidenepropanoate Openeye Name: (3-amino-6-butyl-1,2-dihydropyridin-2-yl) 2-oxopropanoate CAS Name: 2-oxopropanoic acid (3-amino-6-butyl-1,2-dihydropyridin-2-yl) ester IUPAC Name: (3-amino-6-butyl-1,2-dihydropyridin-2-yl) 2-oxopropanoate Traditional Name: 2-ketopropionic acid (3-amino-6-butyl-1,2-dihydropyridin-2-yl) ester Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(N1)OC(=O)C(=O)C)N

Isomeric SMILES

CCCCC1=CC=C(C(N1)OC(=O)C(=O)C)N

InChI

InChI=1S/C12H18N2O3/c1-3-4-5-9-6-7-10(13)11(14-9)17-12(16)8(2)15/h6-7,11,14H,3-5,13H2,1-2H3