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

Systemtic Name: (3R)-1-[2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[2-[4-[[5-(4-methoxyphenyl)-2-pyrimidinyl]amino]phenyl]ethyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]ethyl]nipecotic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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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)CCN4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CC=C(C=C3)CCN4CCC[C@H](C4)C(=O)O

InChI

InChI=1S/C25H28N4O3/c1-32-23-10-6-19(7-11-23)21-15-26-25(27-16-21)28-22-8-4-18(5-9-22)12-14-29-13-2-3-20(17-29)24(30)31/h4-11,15-16,20H,2-3,12-14,17H2,1H3,(H,30,31)(H,26,27,28)/t20-/m1/s1