methyl 3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoate

Systemtic Name: methyl 3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoate Openeye Name: methyl 3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoate CAS Name: 3-tert-butyl-5-[(2-cyanoethylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoate Traditional Name: 3-tert-butyl-5-(2-cyanoethylcarbamoyl)benzoic acid methyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC)C(=O)NCCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC)C(=O)NCCC#N

InChI

InChI=1S/C16H20N2O3/c1-16(2,3)13-9-11(14(19)18-7-5-6-17)8-12(10-13)15(20)21-4/h8-10H,5,7H2,1-4H3,(H,18,19)