4-[2-ethyl-3-(2-oxidanylidenepropanoyl)-1-(phenylmethyl)indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[2-ethyl-3-(2-oxidanylidenepropanoyl)-1-(phenylmethyl)indol-5-yl]oxybutanoic acid Openeye Name: 4-[1-benzyl-2-ethyl-3-(2-oxopropanoyl)indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(1,2-dioxopropyl)-2-ethyl-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[1-benzyl-2-ethyl-3-(2-oxopropanoyl)indol-5-yl]oxybutanoic acid Traditional Name: 4-(1-benzyl-2-ethyl-3-pyruvoyl-indol-5-yl)oxybutyric acid Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)O)C(=O)C(=O)C

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)O)C(=O)C(=O)C

InChI

InChI=1S/C24H25NO5/c1-3-20-23(24(29)16(2)26)19-14-18(30-13-7-10-22(27)28)11-12-21(19)25(20)15-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,3,7,10,13,15H2,1-2H3,(H,27,28)