2-[4-(3-hydroxyphenyl)-1-(2-phenylcyclopropyl)piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylcyclopropyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylcyclopropyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylcyclopropyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylcyclopropyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylcyclopropyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)C4CC4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)C4CC4C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O3/c29-20-8-4-7-19(13-20)25(24-26-15-18(16-27-24)23(30)31)9-11-28(12-10-25)22-14-21(22)17-5-2-1-3-6-17/h1-8,13,15-16,21-22,29H,9-12,14H2,(H,30,31)