4-[5,5-dimethyl-4-oxidanylidene-3-[4-(quinolin-2-ylmethoxy)phenyl]furan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5,5-dimethyl-4-oxidanylidene-3-[4-(quinolin-2-ylmethoxy)phenyl]furan-2-yl]benzenecarbonitrile Openeye Name: 4-[5,5-dimethyl-4-oxo-3-[4-(2-quinolylmethoxy)phenyl]-2-furyl]benzonitrile CAS Name: 4-[5,5-dimethyl-4-oxo-3-[4-(2-quinolinylmethoxy)phenyl]-2-furanyl]benzonitrile IUPAC Name: 4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]furan-2-yl]benzonitrile Traditional Name: 4-[4-keto-5,5-dimethyl-3-[4-(2-quinolylmethoxy)phenyl]-2-furyl]benzonitrile Formula: C29H22N2O3 MolecularWeight: 446.49658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C29H22N2O3/c1-29(2)28(32)26(27(34-29)22-9-7-19(17-30)8-10-22)21-12-15-24(16-13-21)33-18-23-14-11-20-5-3-4-6-25(20)31-23/h3-16H,18H2,1-2H3