dimethyl 5-(1H-indol-3-ylmethyl)-4-oxidanyl-1H-pyrrole-2,3-dicarboxylate

Systemtic Name: dimethyl 5-(1H-indol-3-ylmethyl)-4-oxidanyl-1H-pyrrole-2,3-dicarboxylate Openeye Name: dimethyl 4-hydroxy-5-(1H-indol-3-ylmethyl)-1H-pyrrole-2,3-dicarboxylate CAS Name: 4-hydroxy-5-(1H-indol-3-ylmethyl)-1H-pyrrole-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-hydroxy-5-(1H-indol-3-ylmethyl)-1H-pyrrole-2,3-dicarboxylate Traditional Name: 4-hydroxy-5-(1H-indol-3-ylmethyl)-1H-pyrrole-2,3-dicarboxylic acid dimethyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=C1O)CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(NC(=C1O)CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C17H16N2O5/c1-23-16(21)13-14(17(22)24-2)19-12(15(13)20)7-9-8-18-11-6-4-3-5-10(9)11/h3-6,8,18-20H,7H2,1-2H3