O1-ethyl O3-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl] 2-ethylpropanedioate

Systemtic Name: O1-ethyl O3-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl] 2-ethylpropanedioate Openeye Name: O1-ethyl O3-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl] 2-ethylpropanedioate CAS Name: 2-ethylpropanedioic acid O1-ethyl ester O3-[[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl] ester IUPAC Name: 1-O-ethyl 3-O-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl] 2-ethylpropanedioate Traditional Name: 2-ethylmalonic acid O1-ethyl ester O3-[4-[(4-phenylpiperazino)methyl]benzyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)C(=O)OCC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OCC)C(=O)OCC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O4/c1-3-23(24(28)30-4-2)25(29)31-19-21-12-10-20(11-13-21)18-26-14-16-27(17-15-26)22-8-6-5-7-9-22/h5-13,23H,3-4,14-19H2,1-2H3