6-[[[1-(3,4-dichlorophenyl)carbonylpiperidin-4-yl]methylamino]methyl]pyridine-2-carboxylic acid

Systemtic Name: 6-[[[1-(3,4-dichlorophenyl)carbonylpiperidin-4-yl]methylamino]methyl]pyridine-2-carboxylic acid Openeye Name: 6-[[[1-(3,4-dichlorobenzoyl)-4-piperidyl]methylamino]methyl]pyridine-2-carboxylic acid CAS Name: 6-[[[1-[(3,4-dichlorophenyl)-oxomethyl]-4-piperidinyl]methylamino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxylic acid Traditional Name: 6-[[[1-(3,4-dichlorobenzoyl)-4-piperidyl]methylamino]methyl]picolinic acid Formula: C20H21Cl2N3O3 MolecularWeight: 422.30504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNCC2=CC=CC(=N2)C(=O)O)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCC1CNCC2=CC=CC(=N2)C(=O)O)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O3/c21-16-5-4-14(10-17(16)22)19(26)25-8-6-13(7-9-25)11-23-12-15-2-1-3-18(24-15)20(27)28/h1-5,10,13,23H,6-9,11-12H2,(H,27,28)