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

Systemtic Name: tert-butyl N-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[2-(4-benzylpiperazin-1-yl)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-N-methyl-carbamate CAS Name: N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-benzylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N-methylcarbamate Traditional Name: N-[2-(4-benzylpiperazino)-1-(4-hydroxybenzyl)-2-keto-ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4/c1-26(2,3)33-25(32)27(4)23(18-20-10-12-22(30)13-11-20)24(31)29-16-14-28(15-17-29)19-21-8-6-5-7-9-21/h5-13,23,30H,14-19H2,1-4H3