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

Systemtic Name: tert-butyl N-[1-[[1-(4-ethynylphenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-methyl-amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[2-(benzylamino)-1-(4-ethynylphenyl)-2-oxo-ethyl]-methyl-amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[1-(4-ethynylphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-methylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[2-(benzylamino)-1-(4-ethynylphenyl)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-(benzylamino)-1-(4-ethynylphenyl)-2-keto-ethyl]-methyl-amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C(C1=CC=C(C=C1)C#C)C(=O)NCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)N(C)C(C1=CC=C(C=C1)C#C)C(=O)NCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H31N3O4/c1-7-19-13-15-21(16-14-19)22(23(30)27-17-20-11-9-8-10-12-20)29(6)24(31)18(2)28-25(32)33-26(3,4)5/h1,8-16,18,22H,17H2,2-6H3,(H,27,30)(H,28,32)