4-[2-[1-(3-methylbutyl)-3-oxidanyl-2-oxidanylidene-indol-3-yl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[1-(3-methylbutyl)-3-oxidanyl-2-oxidanylidene-indol-3-yl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(3-hydroxy-1-isopentyl-2-oxo-indolin-3-yl)acetyl]benzonitrile CAS Name: 4-[2-[3-hydroxy-1-(3-methylbutyl)-2-oxo-3-indolyl]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[3-hydroxy-1-(3-methylbutyl)-2-oxoindol-3-yl]acetyl]benzonitrile Traditional Name: 4-[2-(3-hydroxy-1-isoamyl-2-keto-indolin-3-yl)acetyl]benzonitrile Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C22H22N2O3/c1-15(2)11-12-24-19-6-4-3-5-18(19)22(27,21(24)26)13-20(25)17-9-7-16(14-23)8-10-17/h3-10,15,27H,11-13H2,1-2H3