tert-butyl 5-azido-4-(3,4-dimethylphenyl)pentanoate

Systemtic Name: tert-butyl 5-azido-4-(3,4-dimethylphenyl)pentanoate Openeye Name: tert-butyl 5-azido-4-(3,4-dimethylphenyl)pentanoate CAS Name: 5-azido-4-(3,4-dimethylphenyl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-azido-4-(3,4-dimethylphenyl)pentanoate Traditional Name: 5-azido-4-(3,4-dimethylphenyl)valeric acid tert-butyl ester Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CCC(=O)OC(C)(C)C)CN=[N+]=[N-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(CCC(=O)OC(C)(C)C)CN=[N+]=[N-])C

InChI

InChI=1S/C17H25N3O2/c1-12-6-7-14(10-13(12)2)15(11-19-20-18)8-9-16(21)22-17(3,4)5/h6-7,10,15H,8-9,11H2,1-5H3