(phenylmethyl) 4-[5-[2-(4-chloranylphenoxy)ethanoylamino]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-[2-(4-chloranylphenoxy)ethanoylamino]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[[2-(4-chlorophenoxy)acetyl]amino]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H25ClN4O4 MolecularWeight: 480.9434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25ClN4O4/c26-20-6-9-22(10-7-20)33-18-24(31)28-21-8-11-23(27-16-21)29-12-14-30(15-13-29)25(32)34-17-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,28,31)