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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3/c1-13(2)11-17(19(24)25-6)22-18(23)16-8-7-15(21)12-14(16)9-10-20(3,4)5/h7-8,12-13,17H,11,21H2,1-6H3,(H,22,23)