ethanedioic acid; [1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-4-yl]-morpholin-4-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-[(2-hydroxy-3-methoxy-phenyl)methyl]-4-piperidyl]-morpholino-methanone; oxalic acid CAS Name: [1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidinyl]-(4-morpholinyl)methanone; oxalic acid IUPAC Name: [1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone; oxalic acid Traditional Name: [1-(2-hydroxy-3-methoxy-benzyl)-4-piperidyl]-morpholino-methanone; oxalic acid Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CN2CCC(CC2)C(=O)N3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1O)CN2CCC(CC2)C(=O)N3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O4.C2H2O4/c1-23-16-4-2-3-15(17(16)21)13-19-7-5-14(6-8-19)18(22)20-9-11-24-12-10-20;3-1(4)2(5)6/h2-4,14,21H,5-13H2,1H3;(H,3,4)(H,5,6)