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

Systemtic Name: methyl 4-[4-(1-azidoheptyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-azidoheptyl)phenyl]butanoate CAS Name: 4-[4-(1-azidoheptyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-azidoheptyl)phenyl]butanoate Traditional Name: 4-[4-(1-azidoheptyl)phenyl]butyric acid methyl ester Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-3-4-5-6-9-17(20-21-19)16-13-11-15(12-14-16)8-7-10-18(22)23-2/h11-14,17H,3-10H2,1-2H3