ethyl 4-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)OCC)OCC3=CC=NC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)OCC)OCC3=CC=NC=C3

InChI

InChI=1S/C22H27N3O5/c1-3-28-20-15-18(5-6-19(20)30-16-17-7-9-23-10-8-17)21(26)24-11-13-25(14-12-24)22(27)29-4-2/h5-10,15H,3-4,11-14,16H2,1-2H3