ethanedioic acid; (3-methoxyphenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-methoxyphenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3-methoxyphenyl)methanone; oxalic acid CAS Name: (3-methoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-benzylpiperazin-1-yl)-(3-methoxyphenyl)methanone; oxalic acid Traditional Name: (4-benzylpiperazino)-(3-methoxyphenyl)methanone; oxalic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O2.C2H2O4/c1-23-18-9-5-8-17(14-18)19(22)21-12-10-20(11-13-21)15-16-6-3-2-4-7-16;3-1(4)2(5)6/h2-9,14H,10-13,15H2,1H3;(H,3,4)(H,5,6)