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

Systemtic Name: ethanedioic acid; 4-pyrrolidin-1-yl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine Openeye Name: oxalic acid; 4-pyrrolidin-1-yl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine CAS Name: oxalic acid; 4-(1-pyrrolidinyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine IUPAC Name: oxalic acid; 4-pyrrolidin-1-yl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine Traditional Name: oxalic acid; 4-pyrrolidino-1-(3,4,5-trimethoxybenzyl)piperidine Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3.C2H2O4/c1-22-17-12-15(13-18(23-2)19(17)24-3)14-20-10-6-16(7-11-20)21-8-4-5-9-21;3-1(4)2(5)6/h12-13,16H,4-11,14H2,1-3H3;(H,3,4)(H,5,6)