ethanedioic acid; 2-(3-methylphenoxy)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 2-(3-methylphenoxy)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone Openeye Name: 2-(3-methylphenoxy)-1-(4-morpholino-1-piperidyl)ethanone; oxalic acid CAS Name: 2-(3-methylphenoxy)-1-[4-(4-morpholinyl)-1-piperidinyl]ethanone; oxalic acid IUPAC Name: 2-(3-methylphenoxy)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone; oxalic acid Traditional Name: 2-(3-methylphenoxy)-1-(4-morpholinopiperidino)ethanone; oxalic acid Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)N3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)N3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O3.C2H2O4/c1-15-3-2-4-17(13-15)23-14-18(21)20-7-5-16(6-8-20)19-9-11-22-12-10-19;3-1(4)2(5)6/h2-4,13,16H,5-12,14H2,1H3;(H,3,4)(H,5,6)