tert-butyl N-[1-[[1-(4-ethynylphenyl)-2-oxidanylidene-2-(propan-2-ylamino)ethyl]-methyl-amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[1-(4-ethynylphenyl)-2-oxidanylidene-2-(propan-2-ylamino)ethyl]-methyl-amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[1-(4-ethynylphenyl)-2-(isopropylamino)-2-oxo-ethyl]-methyl-amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[1-(4-ethynylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-methylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[1-(4-ethynylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-methylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[1-(4-ethynylphenyl)-2-(isopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-9-16-10-12-17(13-11-16)18(19(26)23-14(2)3)25(8)20(27)15(4)24-21(28)29-22(5,6)7/h1,10-15,18H,2-8H3,(H,23,26)(H,24,28)