ethyl 4-[3-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-(2-cyano-3-morpholino-3-oxo-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(2-cyano-3-keto-3-morpholino-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)N3CCOCC3)C

InChI

InChI=1S/C23H25N3O4/c1-4-30-23(28)18-5-7-21(8-6-18)26-16(2)13-19(17(26)3)14-20(15-24)22(27)25-9-11-29-12-10-25/h5-8,13-14H,4,9-12H2,1-3H3