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

Systemtic Name: methyl 2-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-methyl-1-(phenylmethyl)indol-4-yl]oxypropanoate Openeye Name: methyl 2-[1-benzyl-3-(2-chloro-2-oxo-acetyl)-2-methyl-indol-4-yl]oxypropanoate CAS Name: 2-[[3-(2-chloro-1,2-dioxoethyl)-2-methyl-1-(phenylmethyl)-4-indolyl]oxy]propanoic acid methyl ester IUPAC Name: methyl 2-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2-methylindol-4-yl]oxypropanoate Traditional Name: 2-[1-benzyl-3-(2-chloro-2-keto-acetyl)-2-methyl-indol-4-yl]oxypropionic acid methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C)C(=O)OC)C(=O)C(=O)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C)C(=O)OC)C(=O)C(=O)Cl

InChI

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