(2-cyanophenyl)methyl 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (2-cyanophenyl)methyl 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: (2-cyanophenyl)methyl 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid (2-cyanobenzyl) ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2C#N)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2C#N)OCC(C)C

InChI

InChI=1S/C21H23NO4/c1-4-24-20-11-16(9-10-19(20)25-13-15(2)3)21(23)26-14-18-8-6-5-7-17(18)12-22/h5-11,15H,4,13-14H2,1-3H3