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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylmethoxyethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-(2-benzyloxyethyl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylmethoxyethyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylmethoxyethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-(2-benzoxyethyl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)CCOCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)CCOCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c29-22-8-4-7-21(15-22)25(24-26-16-20(17-27-24)23(30)31)9-11-28(12-10-25)13-14-32-18-19-5-2-1-3-6-19/h1-8,15-17,29H,9-14,18H2,(H,30,31)