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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-18(2,3)13-12-16(20-21-19)15-10-8-14(9-11-15)6-5-7-17(22)23-4/h8-11,16H,5-7,12-13H2,1-4H3