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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 1-[4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(4-bromophenoxy)ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 1-[4-(3-benzoxy-4-methoxy-benzyl)piperazino]-2-(4-bromophenoxy)ethanone; oxalic acid Formula: C29H31BrN2O8 MolecularWeight: 615.46904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H29BrN2O4.C2H2O4/c1-32-25-12-7-22(17-26(25)34-19-21-5-3-2-4-6-21)18-29-13-15-30(16-14-29)27(31)20-33-24-10-8-23(28)9-11-24;3-1(4)2(5)6/h2-12,17H,13-16,18-20H2,1H3;(H,3,4)(H,5,6)