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

Systemtic Name: 3-[[2-cyano-3-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[1-(3-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acryloyl]amino]benzoic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H21N3O4/c1-15-10-18(16(2)27(15)21-8-5-9-22(13-21)31-3)11-19(14-25)23(28)26-20-7-4-6-17(12-20)24(29)30/h4-13H,1-3H3,(H,26,28)(H,29,30)