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

Systemtic Name: [4-[3-[2-cyanoethyl-(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-[3-[benzyl(2-cyanoethyl)amino]prop-1-enyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[3-[2-cyanoethyl-(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-[benzyl(2-cyanoethyl)amino]prop-1-enyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-[3-[benzyl(2-cyanoethyl)amino]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-18(25)27-21-12-11-19(16-22(21)26-2)10-6-14-24(15-7-13-23)17-20-8-4-3-5-9-20/h3-6,8-12,16H,7,14-15,17H2,1-2H3