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

Systemtic Name: 2-[1-(2-diethylaminoethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-(2-diethylaminoethyl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[1-(2-diethylaminoethyl)-4-(3-hydroxyphenyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[1-(2-diethylaminoethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-(2-diethylaminoethyl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCN(CC)CCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C22H30N4O3/c1-3-25(4-2)12-13-26-10-8-22(9-11-26,18-6-5-7-19(27)14-18)21-23-15-17(16-24-21)20(28)29/h5-7,14-16,27H,3-4,8-13H2,1-2H3,(H,28,29)