ethyl 4-[(2-chloranylpyridin-3-yl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(2-chloranylpyridin-3-yl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-chloropyridine-3-carbonyl)-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[(2-chloro-3-pyridinyl)-oxomethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloropyridine-3-carbonyl)-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(2-chloronicotinoyl)-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C21H18ClN3O3/c1-2-28-21(27)16-5-7-17(8-6-16)25(14-15-9-12-23-13-10-15)20(26)18-4-3-11-24-19(18)22/h3-13H,2,14H2,1H3