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

Systemtic Name: ethyl 4-(benzotriazol-1-yl)-4-(3,4-dimethoxyphenyl)-3-phenyl-butanoate Openeye Name: ethyl 4-(benzotriazol-1-yl)-4-(3,4-dimethoxyphenyl)-3-phenyl-butanoate CAS Name: 4-(1-benzotriazolyl)-4-(3,4-dimethoxyphenyl)-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-(benzotriazol-1-yl)-4-(3,4-dimethoxyphenyl)-3-phenylbutanoate Traditional Name: 4-(benzotriazol-1-yl)-4-(3,4-dimethoxyphenyl)-3-phenyl-butyric acid ethyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)C(C2=CC(=C(C=C2)OC)OC)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)C(C2=CC(=C(C=C2)OC)OC)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H27N3O4/c1-4-33-25(30)17-20(18-10-6-5-7-11-18)26(19-14-15-23(31-2)24(16-19)32-3)29-22-13-9-8-12-21(22)27-28-29/h5-16,20,26H,4,17H2,1-3H3