[4-(2-azanyl-1-imidazol-1-yl-ethyl)phenyl] 2-oxidanylidenepropanoate

Systemtic Name: [4-(2-azanyl-1-imidazol-1-yl-ethyl)phenyl] 2-oxidanylidenepropanoate Openeye Name: [4-(2-amino-1-imidazol-1-yl-ethyl)phenyl] 2-oxopropanoate CAS Name: 2-oxopropanoic acid [4-[2-amino-1-(1-imidazolyl)ethyl]phenyl] ester IUPAC Name: [4-(2-amino-1-imidazol-1-ylethyl)phenyl] 2-oxopropanoate Traditional Name: 2-ketopropionic acid [4-(2-amino-1-imidazol-1-yl-ethyl)phenyl] ester Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)OC1=CC=C(C=C1)C(CN)N2C=CN=C2

Isomeric SMILES

CC(=O)C(=O)OC1=CC=C(C=C1)C(CN)N2C=CN=C2

InChI

InChI=1S/C14H15N3O3/c1-10(18)14(19)20-12-4-2-11(3-5-12)13(8-15)17-7-6-16-9-17/h2-7,9,13H,8,15H2,1H3