ethanedioic acid; (4-methoxyphenyl)-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-methoxyphenyl)-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (4-methoxyphenyl)-[4-(4-methylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-methoxyphenyl)-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-methoxyphenyl)-[4-(4-methylcyclohexyl)piperazino]methanone; oxalic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-15-3-7-17(8-4-15)20-11-13-21(14-12-20)19(22)16-5-9-18(23-2)10-6-16;3-1(4)2(5)6/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3;(H,3,4)(H,5,6)