2-[5-(4-propanoylphenyl)carbonyl-2,3-dihydropyrrol-1-yl]pyrrole-1-carboxylic acid

Systemtic Name: 2-[5-(4-propanoylphenyl)carbonyl-2,3-dihydropyrrol-1-yl]pyrrole-1-carboxylic acid Openeye Name: 2-[5-(4-propanoylbenzoyl)-2,3-dihydropyrrol-1-yl]pyrrole-1-carboxylic acid CAS Name: 2-[5-[oxo-[4-(1-oxopropyl)phenyl]methyl]-2,3-dihydropyrrol-1-yl]-1-pyrrolecarboxylic acid IUPAC Name: 2-[5-(4-propanoylbenzoyl)-2,3-dihydropyrrol-1-yl]pyrrole-1-carboxylic acid Traditional Name: 2-[2-(4-propionylbenzoyl)-2-pyrrolin-1-yl]pyrrole-1-carboxylic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)C(=O)C2=CCCN2C3=CC=CN3C(=O)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)C(=O)C2=CCCN2C3=CC=CN3C(=O)O

InChI

InChI=1S/C19H18N2O4/c1-2-16(22)13-7-9-14(10-8-13)18(23)15-5-3-11-20(15)17-6-4-12-21(17)19(24)25/h4-10,12H,2-3,11H2,1H3,(H,24,25)