1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]piperidine-3-carboxylic acid CAS Name: 1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxy-4-pyrimidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]nipecotic acid Formula: C19H22Cl2N4O3 MolecularWeight: 425.30898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CC(=N1)NCCC2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=NC(=CC(=N1)NCCC2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H22Cl2N4O3/c1-28-19-23-16(22-7-6-12-4-5-14(20)9-15(12)21)10-17(24-19)25-8-2-3-13(11-25)18(26)27/h4-5,9-10,13H,2-3,6-8,11H2,1H3,(H,26,27)(H,22,23,24)