ethyl 4-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-1-(phenylmethyl)indol-5-yl]oxybutanoate

Systemtic Name: ethyl 4-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-1-(phenylmethyl)indol-5-yl]oxybutanoate Openeye Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxo-acetyl)indol-5-yl]oxybutanoate CAS Name: 4-[[3-(2-chloro-1,2-dioxoethyl)-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxoacetyl)indol-5-yl]oxybutanoate Traditional Name: 4-[1-benzyl-3-(2-chloro-2-keto-acetyl)indol-5-yl]oxybutyric acid ethyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C=C2C(=O)C(=O)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C=C2C(=O)C(=O)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C23H22ClNO5/c1-2-29-21(26)9-6-12-30-17-10-11-20-18(13-17)19(22(27)23(24)28)15-25(20)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,2,6,9,12,14H2,1H3