dimethyl 2-[2-(4-phenylpiperazin-1-yl)propanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4-phenylpiperazin-1-yl)propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(4-phenylpiperazin-1-yl)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(4-phenyl-1-piperazinyl)propyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-phenylpiperazin-1-yl)propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(4-phenylpiperazino)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5/c1-16(25-11-13-26(14-12-25)18-7-5-4-6-8-18)21(27)24-20-15-17(22(28)30-2)9-10-19(20)23(29)31-3/h4-10,15-16H,11-14H2,1-3H3,(H,24,27)