1-[2-(2,5-dimethylphenyl)-6-methyl-5-[(2-methyl-5-propan-2-yl-phenoxy)methyl]pyrimidin-4-yl]-3-methyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(2,5-dimethylphenyl)-6-methyl-5-[(2-methyl-5-propan-2-yl-phenoxy)methyl]pyrimidin-4-yl]-3-methyl-piperidine-3-carboxylic acid Openeye Name: 1-[2-(2,5-dimethylphenyl)-5-[(5-isopropyl-2-methyl-phenoxy)methyl]-6-methyl-pyrimidin-4-yl]-3-methyl-piperidine-3-carboxylic acid CAS Name: 1-[2-(2,5-dimethylphenyl)-6-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-4-pyrimidinyl]-3-methyl-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,5-dimethylphenyl)-6-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-yl]-3-methylpiperidine-3-carboxylic acid Traditional Name: 1-[2-(2,5-dimethylphenyl)-5-[(5-isopropyl-2-methyl-phenoxy)methyl]-6-methyl-pyrimidin-4-yl]-3-methyl-nipecotic acid Formula: C31H39N3O3 MolecularWeight: 501.65966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC(=C(C(=N2)N3CCCC(C3)(C)C(=O)O)COC4=C(C=CC(=C4)C(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC(=C(C(=N2)N3CCCC(C3)(C)C(=O)O)COC4=C(C=CC(=C4)C(C)C)C)C

InChI

InChI=1S/C31H39N3O3/c1-19(2)24-12-11-22(5)27(16-24)37-17-26-23(6)32-28(25-15-20(3)9-10-21(25)4)33-29(26)34-14-8-13-31(7,18-34)30(35)36/h9-12,15-16,19H,8,13-14,17-18H2,1-7H3,(H,35,36)