(4-oxidanylidene-4-pyridin-3-yl-butyl) (E)-3-azanylbut-2-enoate

Systemtic Name: (4-oxidanylidene-4-pyridin-3-yl-butyl) (E)-3-azanylbut-2-enoate Openeye Name: [4-oxo-4-(3-pyridyl)butyl] (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid [4-oxo-4-(3-pyridinyl)butyl] ester IUPAC Name: (4-oxo-4-pyridin-3-ylbutyl) (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid [4-keto-4-(3-pyridyl)butyl] ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCCCC(=O)C1=CN=CC=C1)N

Isomeric SMILES

C/C(=C\C(=O)OCCCC(=O)C1=CN=CC=C1)/N

InChI

InChI=1S/C13H16N2O3/c1-10(14)8-13(17)18-7-3-5-12(16)11-4-2-6-15-9-11/h2,4,6,8-9H,3,5,7,14H2,1H3/b10-8+