O3-tert-butyl O1-methyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-methyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-methyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,3-dicarboxylate CAS Name: 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,3-dicarboxylate Traditional Name: 4-(3,4,5-trimethoxybenzyl)piperazine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CCN1CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CCN1CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC

InChI

InChI=1S/C21H32N2O7/c1-21(2,3)30-19(24)15-13-23(20(25)29-7)9-8-22(15)12-14-10-16(26-4)18(28-6)17(11-14)27-5/h10-11,15H,8-9,12-13H2,1-7H3