2-[5-(3-cyanophenyl)hexan-2-yl]-4-piperidin-4-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[5-(3-cyanophenyl)hexan-2-yl]-4-piperidin-4-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-cyanophenyl)-1-methyl-pentyl]-4-(4-piperidyl)pyrimidine-5-carboxylic acid CAS Name: 2-[5-(3-cyanophenyl)hexan-2-yl]-4-(4-piperidinyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[5-(3-cyanophenyl)hexan-2-yl]-4-piperidin-4-ylpyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-cyanophenyl)-1-methyl-pentyl]-4-(4-piperidyl)pyrimidine-5-carboxylic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)C1=NC=C(C(=N1)C2CCNCC2)C(=O)O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(CCC(C)C1=NC=C(C(=N1)C2CCNCC2)C(=O)O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H28N4O2/c1-15(19-5-3-4-17(12-19)13-24)6-7-16(2)22-26-14-20(23(28)29)21(27-22)18-8-10-25-11-9-18/h3-5,12,14-16,18,25H,6-11H2,1-2H3,(H,28,29)