methyl 3-[4-(1-azido-2-imidazol-1-yl-ethyl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(1-azido-2-imidazol-1-yl-ethyl)phenyl]propanoate Openeye Name: methyl 3-[4-(1-azido-2-imidazol-1-yl-ethyl)phenyl]propanoate CAS Name: 3-[4-[1-azido-2-(1-imidazolyl)ethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1-azido-2-imidazol-1-ylethyl)phenyl]propanoate Traditional Name: 3-[4-(1-azido-2-imidazol-1-yl-ethyl)phenyl]propionic acid methyl ester Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(CN2C=CN=C2)N=[N+]=[N-]

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(CN2C=CN=C2)N=[N+]=[N-]

InChI

InChI=1S/C15H17N5O2/c1-22-15(21)7-4-12-2-5-13(6-3-12)14(18-19-16)10-20-9-8-17-11-20/h2-3,5-6,8-9,11,14H,4,7,10H2,1H3