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

Systemtic Name: 1-methyl-4-(4-propan-2-ylphenyl)carbonyl-pyrrole-2-carboxylic acid Openeye Name: 4-(4-isopropylbenzoyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[oxo-(4-propan-2-ylphenyl)methyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-(4-propan-2-ylbenzoyl)pyrrole-2-carboxylic acid Traditional Name: 4-cumoyl-1-methyl-pyrrole-2-carboxylic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3/c1-10(2)11-4-6-12(7-5-11)15(18)13-8-14(16(19)20)17(3)9-13/h4-10H,1-3H3,(H,19,20)