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

Systemtic Name: 2,6-dimethoxy-4-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[[4-(2-naphthylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-(2-naphthalenylmethyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[4-(2-naphthylmethyl)piperazino]methyl]phenol; oxalic acid Formula: C26H30N2O7 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N2O3.C2H2O4/c1-28-22-14-19(15-23(29-2)24(22)27)17-26-11-9-25(10-12-26)16-18-7-8-20-5-3-4-6-21(20)13-18;3-1(4)2(5)6/h3-8,13-15,27H,9-12,16-17H2,1-2H3;(H,3,4)(H,5,6)