methyl 4-[4-(1-azido-5,5-dimethyl-hexyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-azido-5,5-dimethyl-hexyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-azido-5,5-dimethyl-hexyl)phenyl]butanoate CAS Name: 4-[4-(1-azido-5,5-dimethylhexyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-azido-5,5-dimethylhexyl)phenyl]butanoate Traditional Name: 4-[4-(1-azido-5,5-dimethyl-hexyl)phenyl]butyric acid methyl ester Formula: C19H29N3O2 MolecularWeight: 331.45246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2/c1-19(2,3)14-6-8-17(21-22-20)16-12-10-15(11-13-16)7-5-9-18(23)24-4/h10-13,17H,5-9,14H2,1-4H3