tert-butyl N-[3-(4-hydroxyphenyl)-1-[4-(4-iodophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[3-(4-hydroxyphenyl)-1-[4-(4-iodophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[1-[(4-hydroxyphenyl)methyl]-2-[4-(4-iodophenyl)piperazin-1-yl]-2-oxo-ethyl]-N-methyl-carbamate CAS Name: N-[3-(4-hydroxyphenyl)-1-[4-(4-iodophenyl)-1-piperazinyl]-1-oxopropan-2-yl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-hydroxyphenyl)-1-[4-(4-iodophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-methylcarbamate Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(4-iodophenyl)piperazino]-2-keto-ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C25H32IN3O4 MolecularWeight: 565.44375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)I

InChI

InChI=1S/C25H32IN3O4/c1-25(2,3)33-24(32)27(4)22(17-18-5-11-21(30)12-6-18)23(31)29-15-13-28(14-16-29)20-9-7-19(26)8-10-20/h5-12,22,30H,13-17H2,1-4H3