[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-propenoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N(CCC#N)CCC#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N(CCC#N)CCC#N)OCC

InChI

InChI=1S/C22H27N3O5/c1-3-15-29-19-9-7-18(16-20(19)28-4-2)8-10-22(27)30-17-21(26)25(13-5-11-23)14-6-12-24/h7-10,16H,3-6,13-15,17H2,1-2H3/b10-8+