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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CN2CCC(CC2)(C3=CC(=CC=C3)O)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CN2CCC(CC2)(C3=CC(=CC=C3)O)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C26H29N3O4/c1-2-14-33-23-8-6-19(7-9-23)18-29-12-10-26(11-13-29,21-4-3-5-22(30)15-21)25-27-16-20(17-28-25)24(31)32/h3-9,15-17,30H,2,10-14,18H2,1H3,(H,31,32)