tert-butyl N-[1-[butan-2-yl-[2-[(2,6-dimethylphenyl)amino]-1-(4-ethynylphenyl)-2-oxidanylidene-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[butan-2-yl-[2-[(2,6-dimethylphenyl)amino]-1-(4-ethynylphenyl)-2-oxidanylidene-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[2-(2,6-dimethylanilino)-1-(4-ethynylphenyl)-2-oxo-ethyl]-sec-butyl-amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[butan-2-yl-[2-(2,6-dimethylanilino)-1-(4-ethynylphenyl)-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[butan-2-yl-[2-(2,6-dimethylanilino)-1-(4-ethynylphenyl)-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-(2,6-dimethylanilino)-1-(4-ethynylphenyl)-2-keto-ethyl]-sec-butyl-amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C36H43N3O5 MolecularWeight: 597.74372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C1=CC=C(C=C1)C#C)C(=O)NC2=C(C=CC=C2C)C)C(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)N(C(C1=CC=C(C=C1)C#C)C(=O)NC2=C(C=CC=C2C)C)C(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H43N3O5/c1-9-25(5)39(34(42)30(37-35(43)44-36(6,7)8)22-27-16-20-29(40)21-17-27)32(28-18-14-26(10-2)15-19-28)33(41)38-31-23(3)12-11-13-24(31)4/h2,11-21,25,30,32,40H,9,22H2,1,3-8H3,(H,37,43)(H,38,41)