4-[(E)-[2-(1-methylindol-2-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(E)-[2-(1-methylindol-2-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[(E)-[2-(1-methylindol-2-yl)-5-oxo-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid CAS Name: 4-[(E)-[2-(1-methyl-2-indolyl)-5-oxo-4-oxazolylidene]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(E)-[2-(1-methylindol-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[(E)-[5-keto-2-(1-methylindol-2-yl)-2-oxazolin-4-ylidene]methyl]piperazine-1-carboxylic acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C3=NC(=CN4CCN(CC4)C(=O)O)C(=O)O3

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C3=N/C(=C/N4CCN(CC4)C(=O)O)/C(=O)O3

InChI

InChI=1S/C18H18N4O4/c1-20-14-5-3-2-4-12(14)10-15(20)16-19-13(17(23)26-16)11-21-6-8-22(9-7-21)18(24)25/h2-5,10-11H,6-9H2,1H3,(H,24,25)/b13-11+