(Z)-5-(benzotriazol-2-yl)-2-methyl-6-(4-methylphenoxy)-5-oxidanyl-hex-2-enoic acid

Systemtic Name: (Z)-5-(benzotriazol-2-yl)-2-methyl-6-(4-methylphenoxy)-5-oxidanyl-hex-2-enoic acid Openeye Name: (Z)-5-(benzotriazol-2-yl)-5-hydroxy-2-methyl-6-(4-methylphenoxy)hex-2-enoic acid CAS Name: (Z)-5-(2-benzotriazolyl)-5-hydroxy-2-methyl-6-(4-methylphenoxy)-2-hexenoic acid IUPAC Name: (Z)-5-(benzotriazol-2-yl)-5-hydroxy-2-methyl-6-(4-methylphenoxy)hex-2-enoic acid Traditional Name: (Z)-5-(benzotriazol-2-yl)-5-hydroxy-2-methyl-6-(4-methylphenoxy)hex-2-enoic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CC=C(C)C(=O)O)(N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(C/C=C(/C)\C(=O)O)(N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C20H21N3O4/c1-14-7-9-16(10-8-14)27-13-20(26,12-11-15(2)19(24)25)23-21-17-5-3-4-6-18(17)22-23/h3-11,26H,12-13H2,1-2H3,(H,24,25)/b15-11-