1,3-benzoxazol-2-ylmethyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: 1,3-benzoxazol-2-ylmethyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-propenoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=NC3=CC=CC=C3O2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3O2)OCC

InChI

InChI=1S/C22H23NO5/c1-3-13-26-19-11-9-16(14-20(19)25-4-2)10-12-22(24)27-15-21-23-17-7-5-6-8-18(17)28-21/h5-12,14H,3-4,13,15H2,1-2H3/b12-10+