ethyl 3-[3-[(3-azanyl-2-chloranyl-pyridin-4-yl)amino]propanoylamino]benzoate

Systemtic Name: ethyl 3-[3-[(3-azanyl-2-chloranyl-pyridin-4-yl)amino]propanoylamino]benzoate Openeye Name: ethyl 3-[3-[(3-amino-2-chloro-4-pyridyl)amino]propanoylamino]benzoate CAS Name: 3-[[3-[(3-amino-2-chloro-4-pyridinyl)amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(3-amino-2-chloropyridin-4-yl)amino]propanoylamino]benzoate Traditional Name: 3-[3-[(3-amino-2-chloro-4-pyridyl)amino]propanoylamino]benzoic acid ethyl ester Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCNC2=C(C(=NC=C2)Cl)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCNC2=C(C(=NC=C2)Cl)N

InChI

InChI=1S/C17H19ClN4O3/c1-2-25-17(24)11-4-3-5-12(10-11)22-14(23)7-9-20-13-6-8-21-16(18)15(13)19/h3-6,8,10H,2,7,9,19H2,1H3,(H,20,21)(H,22,23)