2-[2-methyl-5-(4-propan-2-ylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-5-(4-propan-2-ylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-isopropylbenzoyl)-2-methyl-pyrrol-2-yl]acetic acid CAS Name: 2-[2-methyl-5-[oxo-(4-propan-2-ylphenyl)methyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[2-methyl-5-(4-propan-2-ylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-(5-cumoyl-2-methyl-pyrrol-2-yl)acetic acid Formula: C17H19NO3 MolecularWeight: 285.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3/c1-11(2)12-4-6-13(7-5-12)16(21)14-8-9-17(3,18-14)10-15(19)20/h4-9,11H,10H2,1-3H3,(H,19,20)