2-[3-[3-(benzotriazol-2-yl)-2-oxidanyl-phenyl]propanoylamino]ethyl 2-methylprop-2-enoate

Systemtic Name: 2-[3-[3-(benzotriazol-2-yl)-2-oxidanyl-phenyl]propanoylamino]ethyl 2-methylprop-2-enoate Openeye Name: 2-[3-[3-(benzotriazol-2-yl)-2-hydroxy-phenyl]propanoylamino]ethyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 2-[[3-[3-(2-benzotriazolyl)-2-hydroxyphenyl]-1-oxopropyl]amino]ethyl ester IUPAC Name: 2-[3-[3-(benzotriazol-2-yl)-2-hydroxyphenyl]propanoylamino]ethyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 2-[3-[3-(benzotriazol-2-yl)-2-hydroxy-phenyl]propanoylamino]ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCNC(=O)CCC1=C(C(=CC=C1)N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CC(=C)C(=O)OCCNC(=O)CCC1=C(C(=CC=C1)N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C21H22N4O4/c1-14(2)21(28)29-13-12-22-19(26)11-10-15-6-5-9-18(20(15)27)25-23-16-7-3-4-8-17(16)24-25/h3-9,27H,1,10-13H2,2H3,(H,22,26)