methyl 5-[(E)-2-cyano-3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(E)-2-cyano-3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(E)-2-cyano-3-(4-morpholinoanilino)-3-oxo-prop-1-enyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-[4-(4-morpholinyl)anilino]-3-oxoprop-1-enyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-2-cyano-3-(4-morpholin-4-ylanilino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-keto-3-(4-morpholinoanilino)prop-1-enyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=C(C#N)C(=O)NC2=CC=C(C=C2)N3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C21H21N3O5/c1-14-19(21(26)27-2)12-18(29-14)11-15(13-22)20(25)23-16-3-5-17(6-4-16)24-7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,23,25)/b15-11+