1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(2,4-dimethoxybenzyl)isonipecotoyl]isonipecotic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCC(CC2)C(=O)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCC(CC2)C(=O)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C21H30N2O5/c1-27-18-4-3-17(19(13-18)28-2)14-22-9-5-15(6-10-22)20(24)23-11-7-16(8-12-23)21(25)26/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,25,26)