ethanedioic acid; pyrrolidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methanone

Systemtic Name: ethanedioic acid; pyrrolidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methanone Openeye Name: oxalic acid; pyrrolidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidyl]methanone CAS Name: oxalic acid; 1-pyrrolidinyl-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidinyl]methanone IUPAC Name: oxalic acid; pyrrolidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methanone Traditional Name: oxalic acid; pyrrolidino-[1-(3,4,5-trimethoxybenzyl)-4-piperidyl]methanone Formula: C22H32N2O8 MolecularWeight: 452.49808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCC(CC2)C(=O)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCC(CC2)C(=O)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O4.C2H2O4/c1-24-17-12-15(13-18(25-2)19(17)26-3)14-21-10-6-16(7-11-21)20(23)22-8-4-5-9-22;3-1(4)2(5)6/h12-13,16H,4-11,14H2,1-3H3;(H,3,4)(H,5,6)