ethyl 2-[[1-[(4-methoxyphenyl)amino]isoquinolin-4-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[1-[(4-methoxyphenyl)amino]isoquinolin-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[1-(4-methoxyanilino)isoquinoline-4-carbonyl]amino]acetate CAS Name: 2-[[[1-(4-methoxyanilino)-4-isoquinolinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methoxyanilino)isoquinoline-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(p-anisidino)isoquinoline-4-carbonyl]amino]acetic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O4/c1-3-28-19(25)13-23-21(26)18-12-22-20(17-7-5-4-6-16(17)18)24-14-8-10-15(27-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,22,24)(H,23,26)