[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C26H32N2O3/c1-25(2,3)20-15-19(16-21(17-20)26(4,5)6)24(30)31-18-23(29)28(14-10-13-27)22-11-8-7-9-12-22/h7-9,11-12,15-17H,10,14,18H2,1-6H3