ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O.C2H2O4/c1-2-21-8-10-22(11-9-21)20-27-16-18-28(19-17-27)26(29)25-14-12-24(13-15-25)23-6-4-3-5-7-23;3-1(4)2(5)6/h3-15H,2,16-20H2,1H3;(H,3,4)(H,5,6)