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

Systemtic Name: 3-[[2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)acryloyl]amino]benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C25H23N3O4/c1-4-32-23-10-8-22(9-11-23)28-16(2)12-19(17(28)3)13-20(15-26)24(29)27-21-7-5-6-18(14-21)25(30)31/h5-14H,4H2,1-3H3,(H,27,29)(H,30,31)