[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)23(14-17-7-5-4-6-8-17)19(24)15-26-20(25)18-11-9-16(13-22)10-12-18/h4-12H,14-15H2,1-3H3