(4-cycloheptylpiperazin-1-yl)-(4-methoxyphenyl)methanone; ethanedioic acid

Systemtic Name: (4-cycloheptylpiperazin-1-yl)-(4-methoxyphenyl)methanone; ethanedioic acid Openeye Name: (4-cycloheptylpiperazin-1-yl)-(4-methoxyphenyl)methanone; oxalic acid CAS Name: (4-cycloheptyl-1-piperazinyl)-(4-methoxyphenyl)methanone; oxalic acid IUPAC Name: (4-cycloheptylpiperazin-1-yl)-(4-methoxyphenyl)methanone; oxalic acid Traditional Name: (4-cycloheptylpiperazino)-(4-methoxyphenyl)methanone; oxalic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-23-18-10-8-16(9-11-18)19(22)21-14-12-20(13-15-21)17-6-4-2-3-5-7-17;3-1(4)2(5)6/h8-11,17H,2-7,12-15H2,1H3;(H,3,4)(H,5,6)