2-bromanyl-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-phenol; ethanedioic acid

Systemtic Name: 2-bromanyl-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-phenol; ethanedioic acid Openeye Name: 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-phenol; oxalic acid CAS Name: 2-bromo-4-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-6-methoxyphenol; oxalic acid IUPAC Name: 2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol; oxalic acid Traditional Name: 2-bromo-6-methoxy-4-[(4-o-phenetylpiperazino)methyl]phenol; oxalic acid Formula: C22H27BrN2O7 MolecularWeight: 511.36298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C(=C3)Br)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C(=C3)Br)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O3.C2H2O4/c1-3-26-18-7-5-4-6-17(18)23-10-8-22(9-11-23)14-15-12-16(21)20(24)19(13-15)25-2;3-1(4)2(5)6/h4-7,12-13,24H,3,8-11,14H2,1-2H3;(H,3,4)(H,5,6)