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

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: tert-butyl 2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(1,4-dichloro-7-isoquinolinyl)-oxomethyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-4-methyl-valeric acid tert-butyl ester Formula: C20H24Cl2N2O3 MolecularWeight: 411.32216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24Cl2N2O3/c1-11(2)8-16(19(26)27-20(3,4)5)24-18(25)12-6-7-13-14(9-12)17(22)23-10-15(13)21/h6-7,9-11,16H,8H2,1-5H3,(H,24,25)