[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C22H17N3O4/c1-28-17-9-7-15(8-10-17)12-16(13-23)22(27)29-14-21(26)25-20-6-2-5-19-18(20)4-3-11-24-19/h2-12H,14H2,1H3,(H,25,26)/b16-12+