methyl 4-[4-(1-azido-6,6-dimethyl-heptyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-azido-6,6-dimethyl-heptyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-azido-6,6-dimethyl-heptyl)phenyl]butanoate CAS Name: 4-[4-(1-azido-6,6-dimethylheptyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-azido-6,6-dimethylheptyl)phenyl]butanoate Traditional Name: 4-[4-(1-azido-6,6-dimethyl-heptyl)phenyl]butyric acid methyl ester Formula: C20H31N3O2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2/c1-20(2,3)15-6-5-9-18(22-23-21)17-13-11-16(12-14-17)8-7-10-19(24)25-4/h11-14,18H,5-10,15H2,1-4H3