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

Systemtic Name: ethanedioic acid; [1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid CAS Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone; oxalic acid IUPAC Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid Traditional Name: [1-(4-benzoxy-3-methoxy-benzyl)-4-piperidyl]-(4-phenylpiperazino)methanone; oxalic acid Formula: C33H39N3O7 MolecularWeight: 589.67866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H37N3O3.C2H2O4/c1-36-30-22-26(12-13-29(30)37-24-25-8-4-2-5-9-25)23-32-16-14-27(15-17-32)31(35)34-20-18-33(19-21-34)28-10-6-3-7-11-28;3-1(4)2(5)6/h2-13,22,27H,14-21,23-24H2,1H3;(H,3,4)(H,5,6)