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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-benzyl-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(phenylmethyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[1-benzyl-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-benzyl-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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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=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c27-20-8-4-7-19(13-20)23(22-24-14-18(15-25-22)21(28)29)9-11-26(12-10-23)16-17-5-2-1-3-6-17/h1-8,13-15,27H,9-12,16H2,(H,28,29)