methyl 2-[[4-azanyl-2-(3,3-dimethylbut-1-ynyl)phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 2-[[4-azanyl-2-(3,3-dimethylbut-1-ynyl)phenyl]carbonylamino]hexanoate Openeye Name: methyl 2-[[4-amino-2-(3,3-dimethylbut-1-ynyl)benzoyl]amino]hexanoate CAS Name: 2-[[[4-amino-2-(3,3-dimethylbut-1-ynyl)phenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[4-amino-2-(3,3-dimethylbut-1-ynyl)benzoyl]amino]hexanoate Traditional Name: 2-[[4-amino-2-(3,3-dimethylbut-1-ynyl)benzoyl]amino]hexanoic acid methyl ester Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3/c1-6-7-8-17(19(24)25-5)22-18(23)16-10-9-15(21)13-14(16)11-12-20(2,3)4/h9-10,13,17H,6-8,21H2,1-5H3,(H,22,23)