4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylic acid CAS Name: 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylic acid Traditional Name: 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazino]pyrimidine-5-carboxylic acid Formula: C32H34N4O3 MolecularWeight: 522.63736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1C(=O)O)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=NC(=NC=C1C(=O)O)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H34N4O3/c1-2-39-29-28(30(37)38)24-33-31(34-29)36-22-20-35(21-23-36)19-18-32(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,24H,2,18-23H2,1H3,(H,37,38)