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

Systemtic Name: ethyl 4-[3-[[2-(6-azanyl-5-chloranyl-pyridin-3-yl)-2-oxidanyl-ethanoyl]amino]propyl]benzoate Openeye Name: ethyl 4-[3-[[2-(6-amino-5-chloro-3-pyridyl)-2-hydroxy-acetyl]amino]propyl]benzoate CAS Name: 4-[3-[[2-(6-amino-5-chloro-3-pyridinyl)-2-hydroxy-1-oxoethyl]amino]propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[[2-(6-amino-5-chloropyridin-3-yl)-2-hydroxyacetyl]amino]propyl]benzoate Traditional Name: 4-[3-[[2-(6-amino-5-chloro-3-pyridyl)-2-hydroxy-acetyl]amino]propyl]benzoic acid ethyl ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4/c1-2-27-19(26)13-7-5-12(6-8-13)4-3-9-22-18(25)16(24)14-10-15(20)17(21)23-11-14/h5-8,10-11,16,24H,2-4,9H2,1H3,(H2,21,23)(H,22,25)