[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenylmethoxybenzoate

Systemtic Name: [2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenylmethoxybenzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl] 3-benzyloxybenzoate CAS Name: 3-phenylmethoxybenzoic acid [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate Traditional Name: 3-benzoxybenzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O4/c1-16(2)22(3,15-23)24-20(25)14-28-21(26)18-10-7-11-19(12-18)27-13-17-8-5-4-6-9-17/h4-12,16H,13-14H2,1-3H3,(H,24,25)