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

Systemtic Name: 2-[4-(3-methoxyphenyl)-1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-benzyl-4-(3-methoxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-(phenylmethyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-benzyl-4-(3-methoxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)CC3=CC=CC=C3)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)CC3=CC=CC=C3)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C24H25N3O3/c1-30-21-9-5-8-20(14-21)24(23-25-15-19(16-26-23)22(28)29)10-12-27(13-11-24)17-18-6-3-2-4-7-18/h2-9,14-16H,10-13,17H2,1H3,(H,28,29)