4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-[3-(hydroxymethyl)isoxazol-5-yl]pentoxy]-3,5-dimethyl-benzonitrile CAS Name: 4-[5-[3-(hydroxymethyl)-5-isoxazolyl]pentoxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-[3-(hydroxymethyl)-1,2-oxazol-5-yl]pentoxy]-3,5-dimethylbenzonitrile Traditional Name: 3,5-dimethyl-4-[5-(3-methylolisoxazol-5-yl)pentoxy]benzonitrile Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCCCC2=CC(=NO2)CO)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OCCCCCC2=CC(=NO2)CO)C)C#N

InChI

InChI=1S/C18H22N2O3/c1-13-8-15(11-19)9-14(2)18(13)22-7-5-3-4-6-17-10-16(12-21)20-23-17/h8-10,21H,3-7,12H2,1-2H3