ethanedioic acid; [1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(2-ethoxyphenyl)methyl]-3-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(2-ethoxyphenyl)methyl]-3-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-(2-ethoxybenzyl)-3-piperidyl]-piperidino-methanone; oxalic acid Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O2.C2H2O4/c1-2-24-19-11-5-4-9-17(19)15-21-12-8-10-18(16-21)20(23)22-13-6-3-7-14-22;3-1(4)2(5)6/h4-5,9,11,18H,2-3,6-8,10,12-16H2,1H3;(H,3,4)(H,5,6)