[cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-phenyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-phenyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-phenyl-butanoate CAS Name: 3-methyl-2-phenylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-phenylbutanoate Traditional Name: 3-methyl-2-phenyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H23NO3 MolecularWeight: 385.45502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H23NO3/c1-18(2)24(19-10-5-3-6-11-19)25(27)29-23(17-26)20-12-9-15-22(16-20)28-21-13-7-4-8-14-21/h3-16,18,23-24H,1-2H3