ethanedioic acid; 2-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline

Systemtic Name: ethanedioic acid; 2-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline Openeye Name: oxalic acid; 2-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline CAS Name: oxalic acid; 2-[2-[4-(3-phenylpropyl)-1-piperazinyl]ethyl]aniline IUPAC Name: oxalic acid; 2-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline Traditional Name: oxalic acid; [2-[2-[4-(3-phenylpropyl)piperazino]ethyl]phenyl]amine Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC=CC=C3N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC=CC=C3N.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29N3.C2H2O4/c22-21-11-5-4-10-20(21)12-14-24-17-15-23(16-18-24)13-6-9-19-7-2-1-3-8-19;3-1(4)2(5)6/h1-5,7-8,10-11H,6,9,12-18,22H2;(H,3,4)(H,5,6)