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

Systemtic Name: 2-[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-(2-pyrimidinyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-methoxyphenyl)-1-(2-pyrimidyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C21H21N5O3/c1-29-17-5-2-4-16(12-17)21(19-24-13-15(14-25-19)18(27)28)6-10-26(11-7-21)20-22-8-3-9-23-20/h2-5,8-9,12-14H,6-7,10-11H2,1H3,(H,27,28)