2-[(1,5-dimethylpyrrol-2-yl)methyl]-3-oxidanylidene-1-prop-2-ynyl-isoindole-1-carboxylic acid

Systemtic Name: 2-[(1,5-dimethylpyrrol-2-yl)methyl]-3-oxidanylidene-1-prop-2-ynyl-isoindole-1-carboxylic acid Openeye Name: 2-[(1,5-dimethylpyrrol-2-yl)methyl]-3-oxo-1-prop-2-ynyl-isoindoline-1-carboxylic acid CAS Name: 2-[(1,5-dimethyl-2-pyrrolyl)methyl]-3-oxo-1-prop-2-ynyl-1-isoindolecarboxylic acid IUPAC Name: 2-[(1,5-dimethylpyrrol-2-yl)methyl]-3-oxo-1-prop-2-ynylisoindole-1-carboxylic acid Traditional Name: 2-[(1,5-dimethylpyrrol-2-yl)methyl]-3-keto-1-propargyl-isoindoline-1-carboxylic acid Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CN2C(=O)C3=CC=CC=C3C2(CC#C)C(=O)O

Isomeric SMILES

CC1=CC=C(N1C)CN2C(=O)C3=CC=CC=C3C2(CC#C)C(=O)O

InChI

InChI=1S/C19H18N2O3/c1-4-11-19(18(23)24)16-8-6-5-7-15(16)17(22)21(19)12-14-10-9-13(2)20(14)3/h1,5-10H,11-12H2,2-3H3,(H,23,24)