methyl 4-[4-(5-azido-4-oxidanyl-pentoxy)-3,5-dimethyl-phenyl]benzoate

Systemtic Name: methyl 4-[4-(5-azido-4-oxidanyl-pentoxy)-3,5-dimethyl-phenyl]benzoate Openeye Name: methyl 4-[4-(5-azido-4-hydroxy-pentoxy)-3,5-dimethyl-phenyl]benzoate CAS Name: 4-[4-(5-azido-4-hydroxypentoxy)-3,5-dimethylphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-azido-4-hydroxypentoxy)-3,5-dimethylphenyl]benzoate Traditional Name: 4-[4-(5-azido-4-hydroxy-pentoxy)-3,5-dimethyl-phenyl]benzoic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC(CN=[N+]=[N-])O)C)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC(CN=[N+]=[N-])O)C)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25N3O4/c1-14-11-18(16-6-8-17(9-7-16)21(26)27-3)12-15(2)20(14)28-10-4-5-19(25)13-23-24-22/h6-9,11-12,19,25H,4-5,10,13H2,1-3H3