1,3-benzoxazol-2-ylmethyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C19H18BrNO5/c1-3-8-24-18-13(20)9-12(10-16(18)23-2)19(22)25-11-17-21-14-6-4-5-7-15(14)26-17/h4-7,9-10H,3,8,11H2,1-2H3