2-[5-(4-cyanophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[5-(4-cyanophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]propanoic acid Openeye Name: 2-[5-(4-cyanobenzoyl)-1,4-dimethyl-pyrrol-2-yl]propanoic acid CAS Name: 2-[5-[(4-cyanophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]propanoic acid IUPAC Name: 2-[5-(4-cyanobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid Traditional Name: 2-[5-(4-cyanobenzoyl)-1,4-dimethyl-pyrrol-2-yl]propionic acid Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)C(C)C(=O)O)C)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(N(C(=C1)C(C)C(=O)O)C)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H16N2O3/c1-10-8-14(11(2)17(21)22)19(3)15(10)16(20)13-6-4-12(9-18)5-7-13/h4-8,11H,1-3H3,(H,21,22)