4-[2-(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(1-tert-butyl-2,5-dimethyl-3-pyrrolyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)-1-cyano-vinyl]benzoic acid Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)(C)C)C)C=C(C#N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C(C)(C)C)C)C=C(C#N)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H22N2O2/c1-13-10-17(14(2)22(13)20(3,4)5)11-18(12-21)15-6-8-16(9-7-15)19(23)24/h6-11H,1-5H3,(H,23,24)