[cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-propan-2-yl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-propan-2-yl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-isopropyl-3-methyl-butanoate CAS Name: 3-methyl-2-propan-2-ylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-propan-2-ylbutanoate Traditional Name: 2-isopropyl-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(C)C)C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C22H25NO3/c1-15(2)21(16(3)4)22(24)26-20(14-23)17-9-8-12-19(13-17)25-18-10-6-5-7-11-18/h5-13,15-16,20-21H,1-4H3