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

Systemtic Name: ethanedioic acid; [1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-(4-benzoxy-3-methoxy-benzyl)-4-piperidyl]-piperidino-methanone; oxalic acid Formula: C28H36N2O7 MolecularWeight: 512.59464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCCCC3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCCCC3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H34N2O3.C2H2O4/c1-30-25-18-22(10-11-24(25)31-20-21-8-4-2-5-9-21)19-27-16-12-23(13-17-27)26(29)28-14-6-3-7-15-28;3-1(4)2(5)6/h2,4-5,8-11,18,23H,3,6-7,12-17,19-20H2,1H3;(H,3,4)(H,5,6)