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

Systemtic Name: ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(4-phenylphenyl)methanone; oxalic acid Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C26H28N2O2.C2H2O4/c1-2-30-25-14-8-21(9-15-25)20-27-16-18-28(19-17-27)26(29)24-12-10-23(11-13-24)22-6-4-3-5-7-22;3-1(4)2(5)6/h3-15H,2,16-20H2,1H3;(H,3,4)(H,5,6)