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

Systemtic Name: tert-butyl N-[1-[[1-(4-ethynylphenyl)-2-oxidanylidene-2-(pentylamino)ethyl]-methyl-amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[1-(4-ethynylphenyl)-2-oxo-2-(pentylamino)ethyl]-methyl-amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[1-(4-ethynylphenyl)-2-oxo-2-(pentylamino)ethyl]-methylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[1-(4-ethynylphenyl)-2-oxo-2-(pentylamino)ethyl]-methylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-(amylamino)-1-(4-ethynylphenyl)-2-keto-ethyl]-methyl-amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O4/c1-8-10-11-16-25-21(28)20(19-14-12-18(9-2)13-15-19)27(7)22(29)17(3)26-23(30)31-24(4,5)6/h2,12-15,17,20H,8,10-11,16H2,1,3-7H3,(H,25,28)(H,26,30)