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

Systemtic Name: 2-(4-chloranylphenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone; ethanedioic acid Openeye Name: 2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 2-(4-chlorophenoxy)-1-(4-cycloheptyl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazino)ethanone; oxalic acid Formula: C21H29ClN2O6 MolecularWeight: 440.91776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27ClN2O2.C2H2O4/c20-16-7-9-18(10-8-16)24-15-19(23)22-13-11-21(12-14-22)17-5-3-1-2-4-6-17;3-1(4)2(5)6/h7-10,17H,1-6,11-15H2;(H,3,4)(H,5,6)