3-[[2-cyano-3-[1-(3-methoxycarbonyl-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[1-(3-methoxycarbonyl-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[1-(3-methoxycarbonyl-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[1-(3-methoxycarbonyl-2-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[1-(3-methoxycarbonyl-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[1-(3-carbomethoxy-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acryloyl]amino]benzoic acid Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C26H23N3O5/c1-15-11-19(17(3)29(15)23-10-6-9-22(16(23)2)26(33)34-4)12-20(14-27)24(30)28-21-8-5-7-18(13-21)25(31)32/h5-13H,1-4H3,(H,28,30)(H,31,32)