[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-16(2)18-10-12-19(13-11-18)22(26)27-17(3)21(25)24(15-7-14-23)20-8-5-4-6-9-20/h4-6,8-13,16-17H,7,15H2,1-3H3