4-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3-ethyl-5-methyl-isoxazol-4-yl)-1H-indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[2-(3-ethyl-5-methyl-4-isoxazolyl)-1H-indol-3-yl]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[2-(3-ethyl-5-methyl-isoxazol-4-yl)-1H-indol-3-yl]-4-keto-butyric acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C2=C(C3=CC=CC=C3N2)C(=O)CCC(=O)O)C

Isomeric SMILES

CCC1=NOC(=C1C2=C(C3=CC=CC=C3N2)C(=O)CCC(=O)O)C

InChI

InChI=1S/C18H18N2O4/c1-3-12-16(10(2)24-20-12)18-17(14(21)8-9-15(22)23)11-6-4-5-7-13(11)19-18/h4-7,19H,3,8-9H2,1-2H3,(H,22,23)