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

Systemtic Name: 4-[5-[[2,6-bis(chloranyl)phenyl]methoxy]-3-methanoyl-2-methyl-indol-1-yl]butanenitrile Openeye Name: 4-[5-[(2,6-dichlorophenyl)methoxy]-3-formyl-2-methyl-indol-1-yl]butanenitrile CAS Name: 4-[5-[(2,6-dichlorophenyl)methoxy]-3-formyl-2-methyl-1-indolyl]butanenitrile IUPAC Name: 4-[5-[(2,6-dichlorophenyl)methoxy]-3-formyl-2-methylindol-1-yl]butanenitrile Traditional Name: 4-[5-(2,6-dichlorobenzyl)oxy-3-formyl-2-methyl-indol-1-yl]butyronitrile Formula: C21H18Cl2N2O2 MolecularWeight: 401.28582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCCC#N)C=CC(=C2)OCC3=C(C=CC=C3Cl)Cl)C=O

Isomeric SMILES

CC1=C(C2=C(N1CCCC#N)C=CC(=C2)OCC3=C(C=CC=C3Cl)Cl)C=O

InChI

InChI=1S/C21H18Cl2N2O2/c1-14-17(12-26)16-11-15(7-8-21(16)25(14)10-3-2-9-24)27-13-18-19(22)5-4-6-20(18)23/h4-8,11-12H,2-3,10,13H2,1H3