methyl 3-[[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 3-[[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 3-[[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]amino]benzoate CAS Name: 3-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]benzoate Traditional Name: 3-[[2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NCC(=O)NC2(CCCCCC2)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NCC(=O)NC2(CCCCCC2)C#N

InChI

InChI=1S/C18H23N3O3/c1-24-17(23)14-7-6-8-15(11-14)20-12-16(22)21-18(13-19)9-4-2-3-5-10-18/h6-8,11,20H,2-5,9-10,12H2,1H3,(H,21,22)