ethyl 4-[3-[(2-azanyl-6-chloranyl-pyridin-4-yl)amino]propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[(2-azanyl-6-chloranyl-pyridin-4-yl)amino]propanoylamino]benzoate Openeye Name: ethyl 4-[3-[(2-amino-6-chloro-4-pyridyl)amino]propanoylamino]benzoate CAS Name: 4-[[3-[(2-amino-6-chloro-4-pyridinyl)amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-amino-6-chloropyridin-4-yl)amino]propanoylamino]benzoate Traditional Name: 4-[3-[(2-amino-6-chloro-4-pyridyl)amino]propanoylamino]benzoic acid ethyl ester Formula: C17H19ClN4O3 MolecularWeight: 362.81076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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