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

Systemtic Name: methyl 4-[3-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C(C#N)C(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C(C#N)C(=O)N3CCOCC3

InChI

InChI=1S/C22H23N3O4/c1-15-12-18(13-19(14-23)21(26)24-8-10-29-11-9-24)16(2)25(15)20-6-4-17(5-7-20)22(27)28-3/h4-7,12-13H,8-11H2,1-3H3