5-(1H-indol-3-ylmethyl)-4H-1,2-oxazole-3,5-dicarboxylic acid

Systemtic Name: 5-(1H-indol-3-ylmethyl)-4H-1,2-oxazole-3,5-dicarboxylic acid Openeye Name: 5-(1H-indol-3-ylmethyl)-4H-isoxazole-3,5-dicarboxylic acid CAS Name: 5-(1H-indol-3-ylmethyl)-4H-isoxazole-3,5-dicarboxylic acid IUPAC Name: 5-(1H-indol-3-ylmethyl)-4H-1,2-oxazole-3,5-dicarboxylic acid Traditional Name: 5-(1H-indol-3-ylmethyl)-2-isoxazoline-3,5-dicarboxylic acid Formula: C14H12N2O5 MolecularWeight: 288.25548

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

Isomeric SMILES

C1C(=NOC1(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)O

InChI

InChI=1S/C14H12N2O5/c17-12(18)11-6-14(13(19)20,21-16-11)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,15H,5-6H2,(H,17,18)(H,19,20)