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

Systemtic Name: ethanedioic acid; [4-[(3-methylphenyl)methyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(m-tolylmethyl)piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(3-methylbenzyl)piperazino]-phenyl-methanone; oxalic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O.C2H2O4/c1-16-6-5-7-17(14-16)15-20-10-12-21(13-11-20)19(22)18-8-3-2-4-9-18;3-1(4)2(5)6/h2-9,14H,10-13,15H2,1H3;(H,3,4)(H,5,6)