5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]-3-ethyl-pyridine-2-carboxylic acid

Systemtic Name: 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]-3-ethyl-pyridine-2-carboxylic acid Openeye Name: 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]-3-ethyl-pyridine-2-carboxylic acid CAS Name: 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-1-pyrrolyl]-3-ethyl-2-pyridinecarboxylic acid IUPAC Name: 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]-3-ethylpyridine-2-carboxylic acid Traditional Name: 5-[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl]-3-ethyl-picolinic acid Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CN=C1C(=O)O)N2C(=C(C(=C2C)C3=CC=C(C=C3)C#N)C#N)C

Isomeric SMILES

CCC1=CC(=CN=C1C(=O)O)N2C(=C(C(=C2C)C3=CC=C(C=C3)C#N)C#N)C

InChI

InChI=1S/C22H18N4O2/c1-4-16-9-18(12-25-21(16)22(27)28)26-13(2)19(11-24)20(14(26)3)17-7-5-15(10-23)6-8-17/h5-9,12H,4H2,1-3H3,(H,27,28)