2-[(2,6-dimethylphenoxy)methyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(2,6-dimethylphenoxy)methyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(2,6-dimethylphenoxy)methyl]-5-(1-phenylethylamino)oxazole-4-carbonitrile CAS Name: 2-[(2,6-dimethylphenoxy)methyl]-5-(1-phenylethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[(2,6-dimethylphenoxy)methyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(2,6-dimethylphenoxy)methyl]-5-(1-phenylethylamino)oxazole-4-carbonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NC(=C(O2)NC(C)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NC(=C(O2)NC(C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H21N3O2/c1-14-8-7-9-15(2)20(14)25-13-19-24-18(12-22)21(26-19)23-16(3)17-10-5-4-6-11-17/h4-11,16,23H,13H2,1-3H3