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

Systemtic Name: ethanedioic acid; 2-(4-methylphenoxy)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone Openeye Name: 2-(4-methylphenoxy)-1-(4-pyrrolidin-1-yl-1-piperidyl)ethanone; oxalic acid CAS Name: 2-(4-methylphenoxy)-1-[4-(1-pyrrolidinyl)-1-piperidinyl]ethanone; oxalic acid IUPAC Name: 2-(4-methylphenoxy)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone; oxalic acid Traditional Name: 2-(4-methylphenoxy)-1-(4-pyrrolidinopiperidino)ethanone; oxalic acid Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CCC(CC2)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CCC(CC2)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O2.C2H2O4/c1-15-4-6-17(7-5-15)22-14-18(21)20-12-8-16(9-13-20)19-10-2-3-11-19;3-1(4)2(5)6/h4-7,16H,2-3,8-14H2,1H3;(H,3,4)(H,5,6)