[4-[3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-[3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-[3-[2-cyanoethyl(3-pyridylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[3-[2-cyanoethyl(3-pyridinylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-[2-cyanoethyl(pyridin-3-ylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-[3-[2-cyanoethyl(3-pyridylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=CCN(CCC#N)CC2=CN=CC=C2)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C=CCN(CCC#N)CC2=CN=CC=C2)OC

InChI

InChI=1S/C21H23N3O3/c1-17(25)27-20-9-8-18(14-21(20)26-2)7-4-12-24(13-5-10-22)16-19-6-3-11-23-15-19/h3-4,6-9,11,14-15H,5,12-13,16H2,1-2H3