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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-hydroxyphenyl)-1-(2-thienylmethyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-hydroxyphenyl)-1-(2-thenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C21H21N3O3S MolecularWeight: 395.47474

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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)CC4=CC=CS4

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)CC4=CC=CS4

InChI

InChI=1S/C21H21N3O3S/c25-17-4-1-3-16(11-17)21(20-22-12-15(13-23-20)19(26)27)6-8-24(9-7-21)14-18-5-2-10-28-18/h1-5,10-13,25H,6-9,14H2,(H,26,27)