ethyl 2-bromanyl-3-(3-methoxy-4-phenylmethoxy-phenyl)-3-prop-2-ynoxy-propanoate

Systemtic Name: ethyl 2-bromanyl-3-(3-methoxy-4-phenylmethoxy-phenyl)-3-prop-2-ynoxy-propanoate Openeye Name: ethyl 3-(4-benzyloxy-3-methoxy-phenyl)-2-bromo-3-prop-2-ynoxy-propanoate CAS Name: 2-bromo-3-(3-methoxy-4-phenylmethoxyphenyl)-3-prop-2-ynoxypropanoic acid ethyl ester IUPAC Name: ethyl 2-bromo-3-(3-methoxy-4-phenylmethoxyphenyl)-3-prop-2-ynoxypropanoate Traditional Name: 3-(4-benzoxy-3-methoxy-phenyl)-2-bromo-3-propargyloxy-propionic acid ethyl ester Formula: C22H23BrO5 MolecularWeight: 447.31902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)OCC#C)Br

Isomeric SMILES

CCOC(=O)C(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)OCC#C)Br

InChI

InChI=1S/C22H23BrO5/c1-4-13-27-21(20(23)22(24)26-5-2)17-11-12-18(19(14-17)25-3)28-15-16-9-7-6-8-10-16/h1,6-12,14,20-21H,5,13,15H2,2-3H3