1,3-benzoxazol-2-ylmethyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: 1,3-benzoxazol-2-ylmethyl (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H14BrNO4/c1-22-15-8-7-13(19)10-12(15)6-9-18(21)23-11-17-20-14-4-2-3-5-16(14)24-17/h2-10H,11H2,1H3/b9-6+