2-oxidanyl-2-phenyl-ethanoic acid; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: 2-oxidanyl-2-phenyl-ethanoic acid; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 2-hydroxy-2-phenyl-acetic acid; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: 2-hydroxy-2-phenylacetic acid; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine IUPAC Name: 2-hydroxy-2-phenylacetic acid; 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine Traditional Name: madelic acid; 1-(2,3,4-trimethoxybenzyl)piperazine Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C14H22N2O3.C8H8O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;9-7(8(10)11)6-4-2-1-3-5-6/h4-5,15H,6-10H2,1-3H3;1-5,7,9H,(H,10,11)