ethanedioic acid; [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: ethanedioic acid; [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(3-methoxyphenyl)methyl]-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid CAS Name: [1-[(3-methoxyphenyl)methyl]-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone; oxalic acid IUPAC Name: [1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid Traditional Name: (1-m-anisyl-4-piperidyl)-(4-phenylpiperazino)methanone; oxalic acid Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

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