4-(2-carboxyethyl)-5-ethoxycarbonyl-3-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2-carboxyethyl)-5-ethoxycarbonyl-3-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-benzyloxycarbonyl-4-(2-carboxyethyl)-5-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2-carboxyethyl)-5-ethoxycarbonyl-3-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2-carboxyethyl)-5-ethoxycarbonyl-3-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-carbethoxy-3-carbobenzoxy-4-(2-carboxyethyl)-1H-pyrrole-2-carboxylic acid Formula: C19H19NO8 MolecularWeight: 389.35606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C(=O)O)C(=O)OCC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C(=O)O)C(=O)OCC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C19H19NO8/c1-2-27-19(26)15-12(8-9-13(21)22)14(16(20-15)17(23)24)18(25)28-10-11-6-4-3-5-7-11/h3-7,20H,2,8-10H2,1H3,(H,21,22)(H,23,24)