[3-(4-tert-butylphenyl)-2-methyl-propyl] 3-azidobenzoate

Systemtic Name: [3-(4-tert-butylphenyl)-2-methyl-propyl] 3-azidobenzoate Openeye Name: [3-(4-tert-butylphenyl)-2-methyl-propyl] 3-azidobenzoate CAS Name: 3-azidobenzoic acid [3-(4-tert-butylphenyl)-2-methylpropyl] ester IUPAC Name: [3-(4-tert-butylphenyl)-2-methylpropyl] 3-azidobenzoate Traditional Name: 3-azidobenzoic acid [3-(4-tert-butylphenyl)-2-methyl-propyl] ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)(C)C)COC(=O)C2=CC(=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)(C)C)COC(=O)C2=CC(=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C21H25N3O2/c1-15(12-16-8-10-18(11-9-16)21(2,3)4)14-26-20(25)17-6-5-7-19(13-17)23-24-22/h5-11,13,15H,12,14H2,1-4H3