tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonyl-phenyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonyl-phenyl-amino]ethanoate Openeye Name: tert-butyl 2-(N-(1,4-dichloroisoquinoline-7-carbonyl)anilino)acetate CAS Name: 2-(N-[(1,4-dichloro-7-isoquinolinyl)-oxomethyl]anilino)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(N-(1,4-dichloroisoquinoline-7-carbonyl)anilino)acetate Traditional Name: 2-(N-(1,4-dichloroisoquinoline-7-carbonyl)anilino)acetic acid tert-butyl ester Formula: C22H20Cl2N2O3 MolecularWeight: 431.3118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O3/c1-22(2,3)29-19(27)13-26(15-7-5-4-6-8-15)21(28)14-9-10-16-17(11-14)20(24)25-12-18(16)23/h4-12H,13H2,1-3H3