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

Systemtic Name: 2-[4-(3-aminocarbonylphenyl)-1-hexyl-piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-carbamoylphenyl)-1-hexyl-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-carbamoylphenyl)-1-hexyl-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-carbamoylphenyl)-1-hexylpiperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-carbamoylphenyl)-1-hexyl-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(CC1)(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCCCCCN1CCC(CC1)(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C23H30N4O3/c1-2-3-4-5-11-27-12-9-23(10-13-27,19-8-6-7-17(14-19)20(24)28)22-25-15-18(16-26-22)21(29)30/h6-8,14-16H,2-5,9-13H2,1H3,(H2,24,28)(H,29,30)