ethanedioic acid; methyl 3-[3-(4-aminocarbonylpiperidin-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 3-[3-(4-aminocarbonylpiperidin-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[3-(4-carbamoyl-1-piperidyl)-2-hydroxy-propoxy]benzoate; oxalic acid CAS Name: 3-[3-(4-carbamoyl-1-piperidinyl)-2-hydroxypropoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-[3-(4-carbamoylpiperidin-1-yl)-2-hydroxypropoxy]benzoate; oxalic acid Traditional Name: 3-[3-(4-carbamoylpiperidino)-2-hydroxy-propoxy]benzoic acid methyl ester; oxalic acid Formula: C19H26N2O9 MolecularWeight: 426.41774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(CN2CCC(CC2)C(=O)N)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OCC(CN2CCC(CC2)C(=O)N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N2O5.C2H2O4/c1-23-17(22)13-3-2-4-15(9-13)24-11-14(20)10-19-7-5-12(6-8-19)16(18)21;3-1(4)2(5)6/h2-4,9,12,14,20H,5-8,10-11H2,1H3,(H2,18,21);(H,3,4)(H,5,6)