2-[5-(phenylcarbonyl)-1-propan-2-yl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(phenylcarbonyl)-1-propan-2-yl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-(5-benzoyl-1-isopropyl-pyrrol-2-yl)acetic acid CAS Name: 2-(5-benzoyl-1-propan-2-yl-2-pyrrolyl)acetic acid IUPAC Name: 2-(5-benzoyl-1-propan-2-ylpyrrol-2-yl)acetic acid Traditional Name: 2-(5-benzoyl-1-isopropyl-pyrrol-2-yl)acetic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=C1C(=O)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)N1C(=CC=C1C(=O)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C16H17NO3/c1-11(2)17-13(10-15(18)19)8-9-14(17)16(20)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19)