ethanedioic acid; [4-(3-methylcyclohexyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [4-(3-methylcyclohexyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(3-methylcyclohexyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid CAS Name: [4-(3-methylcyclohexyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid IUPAC Name: [4-(3-methylcyclohexyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Traditional Name: [4-(3-methylcyclohexyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Formula: C23H34N2O8 MolecularWeight: 466.52466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H32N2O4.C2H2O4/c1-15-6-5-7-17(12-15)22-8-10-23(11-9-22)21(24)16-13-18(25-2)20(27-4)19(14-16)26-3;3-1(4)2(5)6/h13-15,17H,5-12H2,1-4H3;(H,3,4)(H,5,6)