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

Systemtic Name: 3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-carbobenzoxy-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-3-12-10(2)13(17-14(12)15(18)19)16(20)21-9-11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3,(H,18,19)