2-[4-(3-aminocarbonylphenyl)-1-(3,5,5-trimethylhexyl)piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-aminocarbonylphenyl)-1-(3,5,5-trimethylhexyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-carbamoylphenyl)-1-(3,5,5-trimethylhexyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-carbamoylphenyl)-1-(3,5,5-trimethylhexyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-carbamoylphenyl)-1-(3,5,5-trimethylhexyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-carbamoylphenyl)-1-(3,5,5-trimethylhexyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C26H36N4O3 MolecularWeight: 452.58904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC(CC1)(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CCN1CCC(CC1)(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O)CC(C)(C)C

InChI

InChI=1S/C26H36N4O3/c1-18(15-25(2,3)4)8-11-30-12-9-26(10-13-30,21-7-5-6-19(14-21)22(27)31)24-28-16-20(17-29-24)23(32)33/h5-7,14,16-18H,8-13,15H2,1-4H3,(H2,27,31)(H,32,33)