ethanedioic acid; (4-phenylphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-phenylphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone Openeye Name: oxalic acid; (4-phenylphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone CAS Name: oxalic acid; (4-phenylphenyl)-[4-(3-phenylpropyl)-1-piperazinyl]methanone IUPAC Name: oxalic acid; (4-phenylphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone Traditional Name: oxalic acid; (4-phenylphenyl)-[4-(3-phenylpropyl)piperazino]methanone Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O.C2H2O4/c29-26(25-15-13-24(14-16-25)23-11-5-2-6-12-23)28-20-18-27(19-21-28)17-7-10-22-8-3-1-4-9-22;3-1(4)2(5)6/h1-6,8-9,11-16H,7,10,17-21H2;(H,3,4)(H,5,6)