[4-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone; ethanedioic acid

Systemtic Name: [4-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone; ethanedioic acid Openeye Name: [4-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]piperazino]-phenyl-methanone; oxalic acid Formula: C26H34N2O7 MolecularWeight: 486.55736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N2O3.C2H2O4/c1-24(2,3)20-9-11-22(12-10-20)29-18-21(27)17-25-13-15-26(16-14-25)23(28)19-7-5-4-6-8-19;3-1(4)2(5)6/h4-12,21,27H,13-18H2,1-3H3;(H,3,4)(H,5,6)