ethyl 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylate hydrochloride

Systemtic Name: ethyl 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylate hydrochloride CAS Name: 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine-5-carboxylate hydrochloride Traditional Name: 4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazino]pyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C34H39ClN4O3 MolecularWeight: 587.15146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H38N4O3.ClH/c1-3-40-31-30(32(39)41-4-2)26-35-33(36-31)38-24-22-37(23-25-38)21-20-34(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29;/h5-19,26H,3-4,20-25H2,1-2H3;1H