ethyl 4-[3-[[2-acetyloxy-2-(6-azanyl-5-chloranyl-pyridin-3-yl)ethanoyl]amino]propyl]benzoate

Systemtic Name: ethyl 4-[3-[[2-acetyloxy-2-(6-azanyl-5-chloranyl-pyridin-3-yl)ethanoyl]amino]propyl]benzoate Openeye Name: ethyl 4-[3-[[2-acetoxy-2-(6-amino-5-chloro-3-pyridyl)acetyl]amino]propyl]benzoate CAS Name: 4-[3-[[2-acetyloxy-2-(6-amino-5-chloro-3-pyridinyl)-1-oxoethyl]amino]propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[[2-acetyloxy-2-(6-amino-5-chloropyridin-3-yl)acetyl]amino]propyl]benzoate Traditional Name: 4-[3-[[2-acetoxy-2-(6-amino-5-chloro-3-pyridyl)acetyl]amino]propyl]benzoic acid ethyl ester Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCNC(=O)C(C2=CC(=C(N=C2)N)Cl)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCNC(=O)C(C2=CC(=C(N=C2)N)Cl)OC(=O)C

InChI

InChI=1S/C21H24ClN3O5/c1-3-29-21(28)15-8-6-14(7-9-15)5-4-10-24-20(27)18(30-13(2)26)16-11-17(22)19(23)25-12-16/h6-9,11-12,18H,3-5,10H2,1-2H3,(H2,23,25)(H,24,27)