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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenoxyethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenoxyethyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenoxyethyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenoxyethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenoxyethyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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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)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c28-20-6-4-5-19(15-20)24(23-25-16-18(17-26-23)22(29)30)9-11-27(12-10-24)13-14-31-21-7-2-1-3-8-21/h1-8,15-17,28H,9-14H2,(H,29,30)