2-[4-(3-cyanophenyl)-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CN1CCC(CC1)(C2=CC=CC(=C2)C#N)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCCC(C)CN1CCC(CC1)(C2=CC=CC(=C2)C#N)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C23H28N4O2/c1-3-5-17(2)16-27-10-8-23(9-11-27,20-7-4-6-18(12-20)13-24)22-25-14-19(15-26-22)21(28)29/h4,6-7,12,14-15,17H,3,5,8-11,16H2,1-2H3,(H,28,29)