2-[6-[1-[(4-tert-butylphenyl)methyl]-3-pentyl-indol-2-yl]naphthalen-2-yl]oxyethanenitrile

Systemtic Name: 2-[6-[1-[(4-tert-butylphenyl)methyl]-3-pentyl-indol-2-yl]naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[6-[1-[(4-tert-butylphenyl)methyl]-3-pentyl-indol-2-yl]-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[6-[1-[(4-tert-butylphenyl)methyl]-3-pentyl-2-indolyl]-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[6-[1-[(4-tert-butylphenyl)methyl]-3-pentylindol-2-yl]naphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[6-[3-amyl-1-(4-tert-butylbenzyl)indol-2-yl]-2-naphthoxy]acetonitrile Formula: C36H38N2O MolecularWeight: 514.69972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=CC=CC=C21)CC3=CC=C(C=C3)C(C)(C)C)C4=CC5=C(C=C4)C=C(C=C5)OCC#N

Isomeric SMILES

CCCCCC1=C(N(C2=CC=CC=C21)CC3=CC=C(C=C3)C(C)(C)C)C4=CC5=C(C=C4)C=C(C=C5)OCC#N

InChI

InChI=1S/C36H38N2O/c1-5-6-7-11-33-32-10-8-9-12-34(32)38(25-26-13-18-30(19-14-26)36(2,3)4)35(33)29-16-15-28-24-31(39-22-21-37)20-17-27(28)23-29/h8-10,12-20,23-24H,5-7,11,22,25H2,1-4H3