[2-(azidomethyl)-3-(3,4-dimethylphenyl)propyl] 3,4-dimethylbenzoate

Systemtic Name: [2-(azidomethyl)-3-(3,4-dimethylphenyl)propyl] 3,4-dimethylbenzoate Openeye Name: [2-(azidomethyl)-3-(3,4-dimethylphenyl)propyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-(azidomethyl)-3-(3,4-dimethylphenyl)propyl] ester IUPAC Name: [2-(azidomethyl)-3-(3,4-dimethylphenyl)propyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-(azidomethyl)-3-(3,4-dimethylphenyl)propyl] ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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