ethyl 4-[[(6-chloranyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(6-chloranyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(6-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(6-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(6-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(6-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCC1CN(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H29ClN2O4/c1-3-17-13-24(18-11-16(22)9-10-19(18)28-17)21(26)23-12-14-5-7-15(8-6-14)20(25)27-4-2/h9-11,14-15,17H,3-8,12-13H2,1-2H3,(H,23,26)