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

Systemtic Name: 2,6-dimethoxy-4-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[[4-(1-naphthylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-(1-naphthalenylmethyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[4-(1-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=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

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