[4-(cyanomethyl)phenyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [4-(cyanomethyl)phenyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [4-(cyanomethyl)phenyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C20H21NO5/c1-23-17-12-15(13-18(24-2)20(17)25-3)6-9-19(22)26-16-7-4-14(5-8-16)10-11-21/h4-5,7-8,12-13H,6,9-10H2,1-3H3