methyl 4-[4-(1-azidohexyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-azidohexyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-azidohexyl)phenyl]butanoate CAS Name: 4-[4-(1-azidohexyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-azidohexyl)phenyl]butanoate Traditional Name: 4-[4-(1-azidohexyl)phenyl]butyric acid methyl ester Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)CCCC(=O)OC)N=[N+]=[N-]

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)CCCC(=O)OC)N=[N+]=[N-]

InChI

InChI=1S/C17H25N3O2/c1-3-4-5-8-16(19-20-18)15-12-10-14(11-13-15)7-6-9-17(21)22-2/h10-13,16H,3-9H2,1-2H3