ethyl 4-[3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]-2-oxidanyl-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]-2-oxidanyl-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-hydroxy-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-hydroxy-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-hydroxy-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-hydroxy-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=CC(=C2O)CNC(=O)NC3=CN=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=CC(=C2O)CNC(=O)NC3=CN=C(C=C3)C

InChI

InChI=1S/C21H27N5O4/c1-3-30-21(29)26-11-9-25(10-12-26)18-6-4-5-16(19(18)27)13-23-20(28)24-17-8-7-15(2)22-14-17/h4-8,14,27H,3,9-13H2,1-2H3,(H2,23,24,28)