ethanedioic acid; 1-[2-[(2-methylphenyl)-phenyl-methoxy]ethyl]-4-phenyl-piperazine; hydrate

Systemtic Name: ethanedioic acid; 1-[2-[(2-methylphenyl)-phenyl-methoxy]ethyl]-4-phenyl-piperazine; hydrate Openeye Name: 1-[2-[o-tolyl(phenyl)methoxy]ethyl]-4-phenyl-piperazine; oxalic acid; hydrate CAS Name: 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]-4-phenylpiperazine; oxalic acid; hydrate IUPAC Name: 1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]-4-phenylpiperazine; oxalic acid; hydrate Traditional Name: 1-[2-[o-tolyl(phenyl)methoxy]ethyl]-4-phenyl-piperazine; oxalic acid; hydrate Formula: C60H70N4O19 MolecularWeight: 1151.2132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN3CCN(CC3)C4=CC=CC=C4.CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN3CCN(CC3)C4=CC=CC=C4.CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/2C26H30N2O.4C2H2O4.H2O/c2*1-22-10-8-9-15-25(22)26(23-11-4-2-5-12-23)29-21-20-27-16-18-28(19-17-27)24-13-6-3-7-14-24;4*3-1(4)2(5)6;/h2*2-15,26H,16-21H2,1H3;4*(H,3,4)(H,5,6);1H2