4-(3-ethoxy-3-oxidanylidene-propyl)-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4-(3-ethoxy-3-oxidanylidene-propyl)-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-4-(3-ethoxy-3-oxo-propyl)-2-methyl-1H-pyrrole-3-carboxylic acid CAS Name: 4-(3-ethoxy-3-oxopropyl)-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-(3-ethoxy-3-oxopropyl)-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-carbobenzoxy-4-(3-ethoxy-3-keto-propyl)-2-methyl-1H-pyrrole-3-carboxylic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=C1C(=O)O)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=C1C(=O)O)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO6/c1-3-25-15(21)10-9-14-16(18(22)23)12(2)20-17(14)19(24)26-11-13-7-5-4-6-8-13/h4-8,20H,3,9-11H2,1-2H3,(H,22,23)