ethanedioic acid; [4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: oxalic acid; [4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: oxalic acid; [4-(3-phenylpropyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: oxalic acid; [4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: oxalic acid; [4-(3-phenylpropyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C25H32N2O8 MolecularWeight: 488.53018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O4.C2H2O4/c1-27-20-16-19(17-21(28-2)22(20)29-3)23(26)25-14-12-24(13-15-25)11-7-10-18-8-5-4-6-9-18;3-1(4)2(5)6/h4-6,8-9,16-17H,7,10-15H2,1-3H3;(H,3,4)(H,5,6)