4-[2,5-bis(ethoxycarbonyl)pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2,5-bis(ethoxycarbonyl)pyrrol-1-yl]benzoic acid Openeye Name: 4-[2,5-bis(ethoxycarbonyl)pyrrol-1-yl]benzoic acid CAS Name: 4-[2,5-bis(ethoxycarbonyl)-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2,5-bis(ethoxycarbonyl)pyrrol-1-yl]benzoic acid Traditional Name: 4-(2,5-dicarbethoxypyrrol-1-yl)benzoic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(N1C2=CC=C(C=C2)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(N1C2=CC=C(C=C2)C(=O)O)C(=O)OCC

InChI

InChI=1S/C17H17NO6/c1-3-23-16(21)13-9-10-14(17(22)24-4-2)18(13)12-7-5-11(6-8-12)15(19)20/h5-10H,3-4H2,1-2H3,(H,19,20)