1-(4-cycloheptylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; ethanedioic acid

Systemtic Name: 1-(4-cycloheptylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; ethanedioic acid Openeye Name: 1-(4-cycloheptylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; oxalic acid CAS Name: 1-(4-cycloheptyl-1-piperazinyl)-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-(4-cycloheptylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-(4-cycloheptylpiperazino)-2-(3-methylphenoxy)ethanone; oxalic acid Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O2.C2H2O4/c1-17-7-6-10-19(15-17)24-16-20(23)22-13-11-21(12-14-22)18-8-4-2-3-5-9-18;3-1(4)2(5)6/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3;(H,3,4)(H,5,6)