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

Systemtic Name: 2-[4-(3-methoxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-methoxyphenyl)-1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-(2-methylpentyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-methoxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-methoxyphenyl)-1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-4-6-17(2)16-26-11-9-23(10-12-26,19-7-5-8-20(13-19)29-3)22-24-14-18(15-25-22)21(27)28/h5,7-8,13-15,17H,4,6,9-12,16H2,1-3H3,(H,27,28)