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

Systemtic Name: 2-[4-(3-aminocarbonylphenyl)-1-(3-cyclohexylpropyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-carbamoylphenyl)-1-(3-cyclohexylpropyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-carbamoylphenyl)-1-(3-cyclohexylpropyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-carbamoylphenyl)-1-(3-cyclohexylpropyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-carbamoylphenyl)-1-(3-cyclohexylpropyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCN2CCC(CC2)(C3=CC=CC(=C3)C(=O)N)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCCN2CCC(CC2)(C3=CC=CC(=C3)C(=O)N)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C26H34N4O3/c27-23(31)20-9-4-10-22(16-20)26(25-28-17-21(18-29-25)24(32)33)11-14-30(15-12-26)13-5-8-19-6-2-1-3-7-19/h4,9-10,16-19H,1-3,5-8,11-15H2,(H2,27,31)(H,32,33)