3-[[2-cyano-3-[2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(4-methyl-2-pyridinyl)-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]acryloyl]amino]benzoic acid Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C23H20N4O3/c1-14-7-8-25-21(9-14)27-15(2)10-18(16(27)3)11-19(13-24)22(28)26-20-6-4-5-17(12-20)23(29)30/h4-12H,1-3H3,(H,26,28)(H,29,30)