4-(3-butan-2-yl-4-cyano-2-methyl-pyrrol-1-yl)benzoic acid

Systemtic Name: 4-(3-butan-2-yl-4-cyano-2-methyl-pyrrol-1-yl)benzoic acid Openeye Name: 4-(4-cyano-2-methyl-3-sec-butyl-pyrrol-1-yl)benzoic acid CAS Name: 4-(3-butan-2-yl-4-cyano-2-methyl-1-pyrrolyl)benzoic acid IUPAC Name: 4-(3-butan-2-yl-4-cyano-2-methylpyrrol-1-yl)benzoic acid Traditional Name: 4-(4-cyano-2-methyl-3-sec-butyl-pyrrol-1-yl)benzoic acid Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(N(C=C1C#N)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCC(C)C1=C(N(C=C1C#N)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C17H18N2O2/c1-4-11(2)16-12(3)19(10-14(16)9-18)15-7-5-13(6-8-15)17(20)21/h5-8,10-11H,4H2,1-3H3,(H,20,21)