[4-(1,3-benzoxazol-2-yl)phenyl]methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [4-(1,3-benzoxazol-2-yl)phenyl]methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [4-(1,3-benzoxazol-2-yl)phenyl]methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [4-(1,3-benzoxazol-2-yl)phenyl]methyl ester IUPAC Name: [4-(1,3-benzoxazol-2-yl)phenyl]methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [4-(1,3-benzoxazol-2-yl)benzyl] ester Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H18N2O4/c1-29-21-12-8-17(9-13-21)14-20(15-26)25(28)30-16-18-6-10-19(11-7-18)24-27-22-4-2-3-5-23(22)31-24/h2-14H,16H2,1H3/b20-14+