1-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-[[5-(4-methoxyphenyl)-2-pyrimidinyl]amino]phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzyl]nipecotic acid Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CC=C(C=C3)CN4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CC=C(C=C3)CN4CCCC(C4)C(=O)O

InChI

InChI=1S/C24H26N4O3/c1-31-22-10-6-18(7-11-22)20-13-25-24(26-14-20)27-21-8-4-17(5-9-21)15-28-12-2-3-19(16-28)23(29)30/h4-11,13-14,19H,2-3,12,15-16H2,1H3,(H,29,30)(H,25,26,27)