2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazino]methyl]phenol; oxalic acid Formula: C24H32N2O7 MolecularWeight: 460.52008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N2O3.C2H2O4/c1-26-20-15-19(16-21(27-2)22(20)25)17-24-13-11-23(12-14-24)10-6-9-18-7-4-3-5-8-18;3-1(4)2(5)6/h3-5,7-8,15-16,25H,6,9-14,17H2,1-2H3;(H,3,4)(H,5,6)