methyl 4-[2-cyano-3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[2-cyano-3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[2-cyano-3-(4-morpholinoanilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[2-cyano-3-[4-(4-morpholinyl)anilino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-cyano-3-(4-morpholin-4-ylanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[2-cyano-3-keto-3-(4-morpholinoanilino)prop-1-enyl]benzoic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H21N3O4/c1-28-22(27)17-4-2-16(3-5-17)14-18(15-23)21(26)24-19-6-8-20(9-7-19)25-10-12-29-13-11-25/h2-9,14H,10-13H2,1H3,(H,24,26)