methyl 2-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoate

Systemtic Name: methyl 2-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoate Openeye Name: methyl 2-[1-benzyl-3-(2-chloro-2-oxo-acetyl)-2-ethyl-indol-4-yl]oxyacetate CAS Name: 2-[[3-(2-chloro-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2-ethylindol-4-yl]oxyacetate Traditional Name: 2-[1-benzyl-3-(2-chloro-2-keto-acetyl)-2-ethyl-indol-4-yl]oxyacetic acid methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO5/c1-3-15-20(21(26)22(23)27)19-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(19)29-13-18(25)28-2/h4-11H,3,12-13H2,1-2H3