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

Systemtic Name: ethanedioic acid; (4-methoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: [4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone; oxalic acid CAS Name: (4-methoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-methoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: [4-(3-benzoxy-4-methoxy-benzyl)piperazino]-(4-methoxyphenyl)methanone; oxalic acid Formula: C29H32N2O8 MolecularWeight: 536.57298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H30N2O4.C2H2O4/c1-31-24-11-9-23(10-12-24)27(30)29-16-14-28(15-17-29)19-22-8-13-25(32-2)26(18-22)33-20-21-6-4-3-5-7-21;3-1(4)2(5)6/h3-13,18H,14-17,19-20H2,1-2H3;(H,3,4)(H,5,6)