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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-28-22(27)20-5-3-2-4-16(20)14-17(15-23)21(26)24-18-6-8-19(9-7-18)25-10-12-29-13-11-25/h2-9,14H,10-13H2,1H3,(H,24,26)/b17-14+