(3-methyl-4-propan-2-yl-phenyl) 3-cyanobenzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 3-cyanobenzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC=CC(=C2)C#N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=CC(=C2)C#N)C(C)C

InChI

InChI=1S/C18H17NO2/c1-12(2)17-8-7-16(9-13(17)3)21-18(20)15-6-4-5-14(10-15)11-19/h4-10,12H,1-3H3