ethanedioic acid; 1-[3-methoxy-4-[2-oxidanyl-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-methoxy-4-[2-oxidanyl-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[[1-(1-piperidyl)cyclohexyl]methylamino]propoxy]-3-methoxy-phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-[[1-(1-piperidinyl)cyclohexyl]methylamino]propoxy]-3-methoxyphenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-[(1-piperidin-1-ylcyclohexyl)methylamino]propoxy]-3-methoxyphenyl]ethanone; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-[(1-piperidinocyclohexyl)methylamino]propoxy]-3-methoxy-phenyl]ethanone; oxalic acid Formula: C26H40N2O8 MolecularWeight: 508.6044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CNCC2(CCCCC2)N3CCCCC3)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(CNCC2(CCCCC2)N3CCCCC3)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H38N2O4.C2H2O4/c1-19(27)20-9-10-22(23(15-20)29-2)30-17-21(28)16-25-18-24(11-5-3-6-12-24)26-13-7-4-8-14-26;3-1(4)2(5)6/h9-10,15,21,25,28H,3-8,11-14,16-18H2,1-2H3;(H,3,4)(H,5,6)