ethyl 5-[(E)-2-cyano-3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-[(4-morpholin-4-ylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(4-morpholinoanilino)-3-oxo-prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-[4-(4-morpholinyl)anilino]-3-oxoprop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(4-morpholin-4-ylanilino)-3-oxoprop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-keto-3-(4-morpholinoanilino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)N3CCOCC3)C

InChI

InChI=1S/C23H26N4O4/c1-4-31-23(29)21-15(2)20(25-16(21)3)13-17(14-24)22(28)26-18-5-7-19(8-6-18)27-9-11-30-12-10-27/h5-8,13,25H,4,9-12H2,1-3H3,(H,26,28)/b17-13+