ethyl 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]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)NC(=O)C(=CC2=C(N(C(=C2)C)C(C)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C)C(C)C)C)/C#N

InChI

InChI=1S/C22H25N3O3/c1-6-28-22(27)17-7-9-20(10-8-17)24-21(26)19(13-23)12-18-11-15(4)25(14(2)3)16(18)5/h7-12,14H,6H2,1-5H3,(H,24,26)/b19-12+