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

Systemtic Name: tert-butyl N-[1-[butan-2-yl-[1-(2-ethynylphenyl)-2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[1-(2-ethynylphenyl)-2-(isopropylamino)-2-oxo-ethyl]-sec-butyl-amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[butan-2-yl-[1-(2-ethynylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[butan-2-yl-[1-(2-ethynylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[1-(2-ethynylphenyl)-2-(isopropylamino)-2-keto-ethyl]-sec-butyl-amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C31H41N3O5 MolecularWeight: 535.67434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C1=CC=CC=C1C#C)C(=O)NC(C)C)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)N(C(C1=CC=CC=C1C#C)C(=O)NC(C)C)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H41N3O5/c1-9-21(5)34(27(28(36)32-20(3)4)25-14-12-11-13-23(25)10-2)29(37)26(33-30(38)39-31(6,7)8)19-22-15-17-24(35)18-16-22/h2,11-18,20-21,26-27,35H,9,19H2,1,3-8H3,(H,32,36)(H,33,38)