ethyl 4-(benzotriazol-1-yl)-4-(3,4-dimethoxyphenyl)-3-methyl-butanoate

Systemtic Name: ethyl 4-(benzotriazol-1-yl)-4-(3,4-dimethoxyphenyl)-3-methyl-butanoate Openeye Name: ethyl 4-(benzotriazol-1-yl)-4-(3,4-dimethoxyphenyl)-3-methyl-butanoate CAS Name: 4-(1-benzotriazolyl)-4-(3,4-dimethoxyphenyl)-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 4-(benzotriazol-1-yl)-4-(3,4-dimethoxyphenyl)-3-methylbutanoate Traditional Name: 4-(benzotriazol-1-yl)-4-(3,4-dimethoxyphenyl)-3-methyl-butyric acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)C(C1=CC(=C(C=C1)OC)OC)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)CC(C)C(C1=CC(=C(C=C1)OC)OC)N2C3=CC=CC=C3N=N2

InChI

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