4-[5-[[2,6-bis(chloranyl)phenyl]methoxy]-3-propanoyl-indol-1-yl]butanenitrile

Systemtic Name: 4-[5-[[2,6-bis(chloranyl)phenyl]methoxy]-3-propanoyl-indol-1-yl]butanenitrile Openeye Name: 4-[5-[(2,6-dichlorophenyl)methoxy]-3-propanoyl-indol-1-yl]butanenitrile CAS Name: 4-[5-[(2,6-dichlorophenyl)methoxy]-3-(1-oxopropyl)-1-indolyl]butanenitrile IUPAC Name: 4-[5-[(2,6-dichlorophenyl)methoxy]-3-propanoylindol-1-yl]butanenitrile Traditional Name: 4-[5-(2,6-dichlorobenzyl)oxy-3-propionyl-indol-1-yl]butyronitrile Formula: C22H20Cl2N2O2 MolecularWeight: 415.3124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CN(C2=C1C=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)CCCC#N

Isomeric SMILES

CCC(=O)C1=CN(C2=C1C=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)CCCC#N

InChI

InChI=1S/C22H20Cl2N2O2/c1-2-22(27)17-13-26(11-4-3-10-25)21-9-8-15(12-16(17)21)28-14-18-19(23)6-5-7-20(18)24/h5-9,12-13H,2-4,11,14H2,1H3