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

Systemtic Name: methyl 3-[[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 3-[[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl]amino]benzoate CAS Name: 3-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]amino]benzoate Traditional Name: 3-[[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CNC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CNC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C16H21N3O3/c1-11(2)16(3,10-17)19-14(20)9-18-13-7-5-6-12(8-13)15(21)22-4/h5-8,11,18H,9H2,1-4H3,(H,19,20)