2-[(3,4-dimethoxyphenyl)methyl]-2-(2-phenyl-1-piperidin-4-yl-ethyl)propanedioic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-2-(2-phenyl-1-piperidin-4-yl-ethyl)propanedioic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-2-[2-phenyl-1-(4-piperidyl)ethyl]propanedioic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-2-[2-phenyl-1-(4-piperidinyl)ethyl]propanedioic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-2-(2-phenyl-1-piperidin-4-ylethyl)propanedioic acid Traditional Name: 2-[2-phenyl-1-(4-piperidyl)ethyl]-2-veratryl-malonic acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(CC2=CC=CC=C2)C3CCNCC3)(C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(CC2=CC=CC=C2)C3CCNCC3)(C(=O)O)C(=O)O)OC

InChI

InChI=1S/C25H31NO6/c1-31-21-9-8-18(15-22(21)32-2)16-25(23(27)28,24(29)30)20(19-10-12-26-13-11-19)14-17-6-4-3-5-7-17/h3-9,15,19-20,26H,10-14,16H2,1-2H3,(H,27,28)(H,29,30)