ethanedioic acid; [4-[2-oxidanyl-3-(2,4,6-trimethylphenoxy)propyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[2-oxidanyl-3-(2,4,6-trimethylphenoxy)propyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-[2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]piperazino]-phenyl-methanone; oxalic acid Formula: C25H32N2O7 MolecularWeight: 472.53078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O3.C2H2O4/c1-17-13-18(2)22(19(3)14-17)28-16-21(26)15-24-9-11-25(12-10-24)23(27)20-7-5-4-6-8-20;3-1(4)2(5)6/h4-8,13-14,21,26H,9-12,15-16H2,1-3H3;(H,3,4)(H,5,6)