methyl 4-[[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[(E)-3-(1,3-benzoxazol-2-yl)-1-oxoprop-2-enyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[(E)-3-(1,3-benzoxazol-2-yl)acryloyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C=CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)/C=C/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H18N2O4/c1-22(13-14-7-9-15(10-8-14)20(24)25-2)19(23)12-11-18-21-16-5-3-4-6-17(16)26-18/h3-12H,13H2,1-2H3/b12-11+