2-[2-methyl-3-(2-oxidanylidenepropanoyl)-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-methyl-3-(2-oxidanylidenepropanoyl)-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-2-methyl-3-(2-oxopropanoyl)indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(1,2-dioxopropyl)-2-methyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-2-methyl-3-(2-oxopropanoyl)indol-4-yl]oxyacetic acid Traditional Name: 2-(1-benzyl-2-methyl-3-pyruvoyl-indol-4-yl)oxyacetic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)C

InChI

InChI=1S/C21H19NO5/c1-13-19(21(26)14(2)23)20-16(9-6-10-17(20)27-12-18(24)25)22(13)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,24,25)