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

Systemtic Name: ethyl 4-[3-[2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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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)NC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-6-28-22(27)17-7-9-20(10-8-17)25-15(4)11-18(16(25)5)12-19(13-23)21(26)24-14(2)3/h7-12,14H,6H2,1-5H3,(H,24,26)