ethyl 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloranyl-pyridin-2-yl]oxycarbonylamino]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloranyl-pyridin-2-yl]oxycarbonylamino]ethanoate Openeye Name: ethyl 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloro-2-pyridyl]oxycarbonylamino]acetate CAS Name: 2-[[[5-[(4-butoxyanilino)-oxomethyl]-3-chloro-2-pyridinyl]oxy-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloropyridin-2-yl]oxycarbonylamino]acetate Traditional Name: 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloro-2-pyridyl]oxycarbonylamino]acetic acid ethyl ester Formula: C21H24ClN3O6 MolecularWeight: 449.88476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(N=C2)OC(=O)NCC(=O)OCC)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(N=C2)OC(=O)NCC(=O)OCC)Cl

InChI

InChI=1S/C21H24ClN3O6/c1-3-5-10-30-16-8-6-15(7-9-16)25-19(27)14-11-17(22)20(23-12-14)31-21(28)24-13-18(26)29-4-2/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,24,28)(H,25,27)