tert-butyl N-[1-[butan-2-yl-[2-[(2-chloranyl-6-methyl-phenyl)amino]-1-(2-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-chloranyl-6-methyl-phenyl)amino]-1-(2-ethynylphenyl)-2-oxidanylidene-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[2-(2-chloro-6-methyl-anilino)-1-(2-ethynylphenyl)-2-oxo-ethyl]-sec-butyl-amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[butan-2-yl-[2-(2-chloro-6-methylanilino)-1-(2-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-chloro-6-methylanilino)-1-(2-ethynylphenyl)-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-(2-chloro-6-methyl-anilino)-1-(2-ethynylphenyl)-2-keto-ethyl]-sec-butyl-amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C35H40ClN3O5 MolecularWeight: 618.1622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C1=CC=CC=C1C#C)C(=O)NC2=C(C=CC=C2Cl)C)C(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)N(C(C1=CC=CC=C1C#C)C(=O)NC2=C(C=CC=C2Cl)C)C(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H40ClN3O5/c1-8-23(4)39(33(42)29(37-34(43)44-35(5,6)7)21-24-17-19-26(40)20-18-24)31(27-15-11-10-14-25(27)9-2)32(41)38-30-22(3)13-12-16-28(30)36/h2,10-20,23,29,31,40H,8,21H2,1,3-7H3,(H,37,43)(H,38,41)