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

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

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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)CCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)CCCOC4=CC=CC=C4

InChI

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