[3-(3,4-dimethylphenyl)-2-methyl-propyl] 3-azidobenzoate

Systemtic Name: [3-(3,4-dimethylphenyl)-2-methyl-propyl] 3-azidobenzoate Openeye Name: [3-(3,4-dimethylphenyl)-2-methyl-propyl] 3-azidobenzoate CAS Name: 3-azidobenzoic acid [3-(3,4-dimethylphenyl)-2-methylpropyl] ester IUPAC Name: [3-(3,4-dimethylphenyl)-2-methylpropyl] 3-azidobenzoate Traditional Name: 3-azidobenzoic acid [3-(3,4-dimethylphenyl)-2-methyl-propyl] ester Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2/c1-13(9-16-8-7-14(2)15(3)10-16)12-24-19(23)17-5-4-6-18(11-17)21-22-20/h4-8,10-11,13H,9,12H2,1-3H3