tert-butyl 4-[[3-methoxy-4-(4-methoxycarbonylphenyl)phenyl]methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-methoxy-4-(4-methoxycarbonylphenyl)phenyl]methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-methoxy-4-(4-methoxycarbonylphenyl)phenyl]methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[3-methoxy-4-(4-methoxycarbonylphenyl)phenyl]methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-methoxy-4-(4-methoxycarbonylphenyl)phenyl]methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[4-(4-carbomethoxyphenyl)-3-methoxy-benzyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C25H30N2O6/c1-25(2,3)33-24(30)27-13-12-26(22(28)16-27)15-17-6-11-20(21(14-17)31-4)18-7-9-19(10-8-18)23(29)32-5/h6-11,14H,12-13,15-16H2,1-5H3