(3-phenoxyphenyl)methyl 2-(2-cyanoethyl)-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-(2-cyanoethyl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(2-cyanoethyl)-3-methyl-butanoate CAS Name: 2-(2-cyanoethyl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(2-cyanoethyl)-3-methylbutanoate Traditional Name: 2-(2-cyanoethyl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC#N)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(CCC#N)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H23NO3/c1-16(2)20(12-7-13-22)21(23)24-15-17-8-6-11-19(14-17)25-18-9-4-3-5-10-18/h3-6,8-11,14,16,20H,7,12,15H2,1-2H3