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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCCOCCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C21H27N3O4/c1-2-11-28-12-10-24-8-6-21(7-9-24,17-4-3-5-18(25)13-17)20-22-14-16(15-23-20)19(26)27/h3-5,13-15,25H,2,6-12H2,1H3,(H,26,27)