4-[[2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[[2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[2-(4,5-dihydrooxazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[2-(4,5-dihydrooxazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[2-(4,5-dihydro-1,3-oxazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2-dimethyl-4-[2-(2-oxazolin-2-ylmethyl)anilino]chroman-6-carbonitrile Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3CC4=NCCO4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3CC4=NCCO4)O)C

InChI

InChI=1S/C22H23N3O3/c1-22(2)21(26)20(16-11-14(13-23)7-8-18(16)28-22)25-17-6-4-3-5-15(17)12-19-24-9-10-27-19/h3-8,11,20-21,25-26H,9-10,12H2,1-2H3