ethanedioic acid; 1-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(3-benzoxy-4-methoxy-benzyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C33H34N2O8 MolecularWeight: 586.63166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H32N2O4.C2H2O4/c1-35-29-14-11-25(19-30(29)37-22-24-7-3-2-4-8-24)21-32-15-17-33(18-16-32)31(34)23-36-28-13-12-26-9-5-6-10-27(26)20-28;3-1(4)2(5)6/h2-14,19-20H,15-18,21-23H2,1H3;(H,3,4)(H,5,6)