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

Systemtic Name: 3-ethoxycarbonyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-3-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-ethoxycarbonyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-carbethoxy-5-carbobenzoxy-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H17NO6/c1-3-23-16(21)12-10(2)13(18-14(12)15(19)20)17(22)24-9-11-7-5-4-6-8-11/h4-8,18H,3,9H2,1-2H3,(H,19,20)