ethanedioic acid; pyrrolidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone

Systemtic Name: ethanedioic acid; pyrrolidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone Openeye Name: oxalic acid; pyrrolidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidyl]methanone CAS Name: oxalic acid; 1-pyrrolidinyl-[1-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidinyl]methanone IUPAC Name: oxalic acid; pyrrolidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone Traditional Name: oxalic acid; pyrrolidino-[1-(2,4,5-trimethoxybenzyl)-3-piperidyl]methanone Formula: C22H32N2O8 MolecularWeight: 452.49808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CCCC(C2)C(=O)N3CCCC3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1CN2CCCC(C2)C(=O)N3CCCC3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O4.C2H2O4/c1-24-17-12-19(26-3)18(25-2)11-16(17)14-21-8-6-7-15(13-21)20(23)22-9-4-5-10-22;3-1(4)2(5)6/h11-12,15H,4-10,13-14H2,1-3H3;(H,3,4)(H,5,6)