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

Systemtic Name: ethanedioic acid; (3-methoxyphenyl)-[4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(1-benzyl-4-piperidyl)piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid CAS Name: (3-methoxyphenyl)-[4-[1-(phenylmethyl)-4-piperidinyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(1-benzyl-4-piperidyl)piperazino]-(3-methoxyphenyl)methanone; oxalic acid Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O2.C2H2O4/c1-29-23-9-5-8-21(18-23)24(28)27-16-14-26(15-17-27)22-10-12-25(13-11-22)19-20-6-3-2-4-7-20;3-1(4)2(5)6/h2-9,18,22H,10-17,19H2,1H3;(H,3,4)(H,5,6)