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

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: [4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: [4-(3-benzoxy-4-methoxy-benzyl)piperazino]-(3-fluorophenyl)methanone; oxalic acid Formula: C28H29FN2O7 MolecularWeight: 524.537463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H27FN2O3.C2H2O4/c1-31-24-11-10-21(16-25(24)32-19-20-6-3-2-4-7-20)18-28-12-14-29(15-13-28)26(30)22-8-5-9-23(27)17-22;3-1(4)2(5)6/h2-11,16-17H,12-15,18-19H2,1H3;(H,3,4)(H,5,6)