3-[4-[5-(diethylcarbamoyl)pyrimidin-2-yl]-1-(2-methylpentyl)piperidin-4-yl]benzoic acid

Systemtic Name: 3-[4-[5-(diethylcarbamoyl)pyrimidin-2-yl]-1-(2-methylpentyl)piperidin-4-yl]benzoic acid Openeye Name: 3-[4-[5-(diethylcarbamoyl)pyrimidin-2-yl]-1-(2-methylpentyl)-4-piperidyl]benzoic acid CAS Name: 3-[4-[5-[diethylamino(oxo)methyl]-2-pyrimidinyl]-1-(2-methylpentyl)-4-piperidinyl]benzoic acid IUPAC Name: 3-[4-[5-(diethylcarbamoyl)pyrimidin-2-yl]-1-(2-methylpentyl)piperidin-4-yl]benzoic acid Traditional Name: 3-[4-[5-(diethylcarbamoyl)pyrimidin-2-yl]-1-(2-methylpentyl)-4-piperidyl]benzoic acid Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O3/c1-5-9-20(4)19-30-14-12-27(13-15-30,23-11-8-10-21(16-23)25(33)34)26-28-17-22(18-29-26)24(32)31(6-2)7-3/h8,10-11,16-18,20H,5-7,9,12-15,19H2,1-4H3,(H,33,34)