dimethyl 5-[(4-phenethylpiperazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-phenethylpiperazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-phenethylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(4-phenethyl-1-piperazinyl)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-phenethylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-phenethylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O5/c1-30-21(27)18-14-19(22(28)31-2)16-20(15-18)24-23(29)26-12-10-25(11-13-26)9-8-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,24,29)