ethyl 4-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[1-[4-(2-pyrimidyloxy)benzyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C23H31N5O3/c1-2-30-23(29)28-15-13-27(14-16-28)20-5-3-12-26(18-20)17-19-6-8-21(9-7-19)31-22-24-10-4-11-25-22/h4,6-11,20H,2-3,5,12-18H2,1H3