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

Systemtic Name: methyl 4-[4-(1-azido-2-imidazol-1-yl-ethyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-azido-2-imidazol-1-yl-ethyl)phenyl]butanoate CAS Name: 4-[4-[1-azido-2-(1-imidazolyl)ethyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-azido-2-imidazol-1-ylethyl)phenyl]butanoate Traditional Name: 4-[4-(1-azido-2-imidazol-1-yl-ethyl)phenyl]butyric acid methyl ester Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(CN2C=CN=C2)N=[N+]=[N-]

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(CN2C=CN=C2)N=[N+]=[N-]

InChI

InChI=1S/C16H19N5O2/c1-23-16(22)4-2-3-13-5-7-14(8-6-13)15(19-20-17)11-21-10-9-18-12-21/h5-10,12,15H,2-4,11H2,1H3