2-[3-[5-tert-butyl-2-(cyanomethoxy)phenyl]-2-oxidanylidene-3-phenyl-indol-1-yl]ethanenitrile

Systemtic Name: 2-[3-[5-tert-butyl-2-(cyanomethoxy)phenyl]-2-oxidanylidene-3-phenyl-indol-1-yl]ethanenitrile Openeye Name: 2-[3-[5-tert-butyl-2-(cyanomethoxy)phenyl]-2-oxo-3-phenyl-indolin-1-yl]acetonitrile CAS Name: 2-[3-[5-tert-butyl-2-(cyanomethoxy)phenyl]-2-oxo-3-phenyl-1-indolyl]acetonitrile IUPAC Name: 2-[3-[5-tert-butyl-2-(cyanomethoxy)phenyl]-2-oxo-3-phenylindol-1-yl]acetonitrile Traditional Name: 2-[3-[5-tert-butyl-2-(cyanomethoxy)phenyl]-2-keto-3-phenyl-indolin-1-yl]acetonitrile Formula: C28H25N3O2 MolecularWeight: 435.517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC#N)C2(C3=CC=CC=C3N(C2=O)CC#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC#N)C2(C3=CC=CC=C3N(C2=O)CC#N)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O2/c1-27(2,3)21-13-14-25(33-18-16-30)23(19-21)28(20-9-5-4-6-10-20)22-11-7-8-12-24(22)31(17-15-29)26(28)32/h4-14,19H,17-18H2,1-3H3