1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-[(2,3-dimethoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-(1-o-veratrylisonipecotoyl)isonipecotic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCC(CC2)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCC(CC2)C(=O)N3CCC(CC3)C(=O)O

InChI

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