4-(4-propan-2-ylphenyl)carbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(4-propan-2-ylphenyl)carbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(4-isopropylbenzoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[oxo-(4-propan-2-ylphenyl)methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(4-propan-2-ylbenzoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-cumoyl-1H-pyrrole-2-carboxylic acid Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C15H15NO3/c1-9(2)10-3-5-11(6-4-10)14(17)12-7-13(15(18)19)16-8-12/h3-9,16H,1-2H3,(H,18,19)