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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylmethoxypropyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-(2-benzyloxypropyl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylmethoxypropyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-(2-phenylmethoxypropyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-(2-benzoxypropyl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CC(CN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-19(33-18-20-6-3-2-4-7-20)17-29-12-10-26(11-13-29,22-8-5-9-23(30)14-22)25-27-15-21(16-28-25)24(31)32/h2-9,14-16,19,30H,10-13,17-18H2,1H3,(H,31,32)