methyl 4-[[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-benzoate

Systemtic Name: methyl 4-[[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-benzoate Openeye Name: methyl 4-[[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl]amino]-3-methyl-benzoic acid methyl ester Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C17H23N3O3/c1-11(2)17(4,10-18)20-15(21)9-19-14-7-6-13(8-12(14)3)16(22)23-5/h6-8,11,19H,9H2,1-5H3,(H,20,21)