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

Systemtic Name: 2-[1-(2-ethoxypropyl)-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-(2-ethoxypropyl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[1-(2-ethoxypropyl)-4-(3-hydroxyphenyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[1-(2-ethoxypropyl)-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-(2-ethoxypropyl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)CN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCOC(C)CN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C21H27N3O4/c1-3-28-15(2)14-24-9-7-21(8-10-24,17-5-4-6-18(25)11-17)20-22-12-16(13-23-20)19(26)27/h4-6,11-13,15,25H,3,7-10,14H2,1-2H3,(H,26,27)