methyl (E)-3-[4-[3-(4-cyanophenoxy)-2-oxidanyl-propoxy]-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[3-(4-cyanophenoxy)-2-oxidanyl-propoxy]-3-methoxy-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[3-(4-cyanophenoxy)-2-hydroxy-propoxy]-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-3-methoxyphenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(4-cyanophenoxy)-2-hydroxy-propoxy]-3-methoxy-phenyl]acrylic acid methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OCC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OCC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C21H21NO6/c1-25-20-11-15(6-10-21(24)26-2)5-9-19(20)28-14-17(23)13-27-18-7-3-16(12-22)4-8-18/h3-11,17,23H,13-14H2,1-2H3/b10-6+