methyl 3-[3-(5-chloranylbenzotriazol-2-yl)-5-(2-phenylpropan-2-yl)phenyl]-3-oxidanyl-propanoate

Systemtic Name: methyl 3-[3-(5-chloranylbenzotriazol-2-yl)-5-(2-phenylpropan-2-yl)phenyl]-3-oxidanyl-propanoate Openeye Name: methyl 3-[3-(5-chlorobenzotriazol-2-yl)-5-(1-methyl-1-phenyl-ethyl)phenyl]-3-hydroxy-propanoate CAS Name: 3-[3-(5-chloro-2-benzotriazolyl)-5-(2-phenylpropan-2-yl)phenyl]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 3-[3-(5-chlorobenzotriazol-2-yl)-5-(2-phenylpropan-2-yl)phenyl]-3-hydroxypropanoate Traditional Name: 3-[3-(5-chlorobenzotriazol-2-yl)-5-cumyl-phenyl]-3-hydroxy-propionic acid methyl ester Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC(=CC(=C2)C(CC(=O)OC)O)N3N=C4C=CC(=CC4=N3)Cl

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=CC(=C2)C(CC(=O)OC)O)N3N=C4C=CC(=CC4=N3)Cl

InChI

InChI=1S/C25H24ClN3O3/c1-25(2,17-7-5-4-6-8-17)18-11-16(23(30)15-24(31)32-3)12-20(13-18)29-27-21-10-9-19(26)14-22(21)28-29/h4-14,23,30H,15H2,1-3H3