tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]-3-methyl-butanoate Openeye Name: tert-butyl 2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-3-methyl-butanoate CAS Name: 2-[[(1,4-dichloro-7-isoquinolinyl)-oxomethyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-3-methylbutanoate Traditional Name: 2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C19H22Cl2N2O3 MolecularWeight: 397.29558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NC(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

Isomeric SMILES

CC(C)C(C(=O)OC(C)(C)C)NC(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O3/c1-10(2)15(18(25)26-19(3,4)5)23-17(24)11-6-7-12-13(8-11)16(21)22-9-14(12)20/h6-10,15H,1-5H3,(H,23,24)