2-[3-(benzotriazol-2-yl)-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-[3-(benzotriazol-2-yl)-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethyl 3-oxidanylidenebutanoate Openeye Name: 2-[3-(benzotriazol-2-yl)-4-[(E)-cinnamyl]oxy-phenyl]ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[3-(2-benzotriazolyl)-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethyl ester IUPAC Name: 2-[3-(benzotriazol-2-yl)-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[3-(benzotriazol-2-yl)-4-[(E)-cinnamyl]oxy-phenyl]ethyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCC1=CC(=C(C=C1)OCC=CC2=CC=CC=C2)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC(=O)CC(=O)OCCC1=CC(=C(C=C1)OC/C=C/C2=CC=CC=C2)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C27H25N3O4/c1-20(31)18-27(32)34-17-15-22-13-14-26(33-16-7-10-21-8-3-2-4-9-21)25(19-22)30-28-23-11-5-6-12-24(23)29-30/h2-14,19H,15-18H2,1H3/b10-7+