ethyl 2-[[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[1-(3-chloro-4-methyl-anilino)isoquinoline-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-(3-chloro-4-methylanilino)-4-isoquinolinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(3-chloro-4-methyl-anilino)isoquinoline-4-carbonyl]amino]benzoic acid ethyl ester Formula: C26H22ClN3O3 MolecularWeight: 459.92418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C26H22ClN3O3/c1-3-33-26(32)20-10-6-7-11-23(20)30-25(31)21-15-28-24(19-9-5-4-8-18(19)21)29-17-13-12-16(2)22(27)14-17/h4-15H,3H2,1-2H3,(H,28,29)(H,30,31)