2-[2-ethyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-ethyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-(3-acetonyl-1-benzyl-2-ethyl-indol-4-yl)oxyacetic acid CAS Name: 2-[[2-ethyl-3-(2-oxopropyl)-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-2-ethyl-3-(2-oxopropyl)indol-4-yl]oxyacetic acid Traditional Name: 2-(3-acetonyl-1-benzyl-2-ethyl-indol-4-yl)oxyacetic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)CC(=O)C

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)CC(=O)C

InChI

InChI=1S/C22H23NO4/c1-3-18-17(12-15(2)24)22-19(10-7-11-20(22)27-14-21(25)26)23(18)13-16-8-5-4-6-9-16/h4-11H,3,12-14H2,1-2H3,(H,25,26)