(2Z,5E)-2-oxidanyl-4-oxidanylidene-6-[1-(phenylmethyl)indol-3-yl]hexa-2,5-dienoic acid

Systemtic Name: (2Z,5E)-2-oxidanyl-4-oxidanylidene-6-[1-(phenylmethyl)indol-3-yl]hexa-2,5-dienoic acid Openeye Name: (2Z,5E)-6-(1-benzylindol-3-yl)-2-hydroxy-4-oxo-hexa-2,5-dienoic acid CAS Name: (2Z,5E)-2-hydroxy-4-oxo-6-[1-(phenylmethyl)-3-indolyl]hexa-2,5-dienoic acid IUPAC Name: (2Z,5E)-6-(1-benzylindol-3-yl)-2-hydroxy-4-oxohexa-2,5-dienoic acid Traditional Name: (2Z,5E)-6-(1-benzylindol-3-yl)-2-hydroxy-4-keto-hexa-2,5-dienoic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=CC(=O)C=C(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C/C(=O)/C=C(/C(=O)O)\O

InChI

InChI=1S/C21H17NO4/c23-17(12-20(24)21(25)26)11-10-16-14-22(13-15-6-2-1-3-7-15)19-9-5-4-8-18(16)19/h1-12,14,24H,13H2,(H,25,26)/b11-10+,20-12-