5-ethoxycarbonyl-3-phenylmethoxycarbonyl-4-propyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-3-phenylmethoxycarbonyl-4-propyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-benzyloxycarbonyl-5-ethoxycarbonyl-4-propyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-ethoxycarbonyl-3-phenylmethoxycarbonyl-4-propyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-3-phenylmethoxycarbonyl-4-propyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-carbethoxy-3-carbobenzoxy-4-propyl-1H-pyrrole-2-carboxylic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C(=O)O)C(=O)OCC

Isomeric SMILES

CCCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C(=O)O)C(=O)OCC

InChI

InChI=1S/C19H21NO6/c1-3-8-13-14(18(23)26-11-12-9-6-5-7-10-12)16(17(21)22)20-15(13)19(24)25-4-2/h5-7,9-10,20H,3-4,8,11H2,1-2H3,(H,21,22)