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

Systemtic Name: 3-[[2-cyano-3-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[1-(4-carbomethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acryloyl]amino]benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O5/c1-15-11-19(16(2)28(15)22-9-7-17(8-10-22)25(32)33-3)12-20(14-26)23(29)27-21-6-4-5-18(13-21)24(30)31/h4-13H,1-3H3,(H,27,29)(H,30,31)