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

Systemtic Name: ethanedioic acid; 1-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinyl]-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(3-benzoxy-4-methoxy-benzyl)piperazino]-2-(3-methylphenoxy)ethanone; oxalic acid Formula: C30H34N2O8 MolecularWeight: 550.59956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H32N2O4.C2H2O4/c1-22-7-6-10-25(17-22)33-21-28(31)30-15-13-29(14-16-30)19-24-11-12-26(32-2)27(18-24)34-20-23-8-4-3-5-9-23;3-1(4)2(5)6/h3-12,17-18H,13-16,19-21H2,1-2H3;(H,3,4)(H,5,6)