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

Systemtic Name: ethanedioic acid; [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-(m-tolylmethyl)piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(3-methylbenzyl)piperazino]-(4-phenylphenyl)methanone; oxalic acid Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N2O.C2H2O4/c1-20-6-5-7-21(18-20)19-26-14-16-27(17-15-26)25(28)24-12-10-23(11-13-24)22-8-3-2-4-9-22;3-1(4)2(5)6/h2-13,18H,14-17,19H2,1H3;(H,3,4)(H,5,6)