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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-3-5-16(2)15-27-10-8-23(9-11-27,19-7-4-6-17(12-19)20(24)28)22-25-13-18(14-26-22)21(29)30/h4,6-7,12-14,16H,3,5,8-11,15H2,1-2H3,(H2,24,28)(H,29,30)