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

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]methylamino]ethanoate Openeye Name: tert-butyl 2-[(1,4-dichloro-7-isoquinolyl)methylamino]acetate CAS Name: 2-[(1,4-dichloro-7-isoquinolinyl)methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,4-dichloroisoquinolin-7-yl)methylamino]acetate Traditional Name: 2-[(1,4-dichloro-7-isoquinolyl)methylamino]acetic acid tert-butyl ester Formula: C16H18Cl2N2O2 MolecularWeight: 341.23232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNCC1=CC2=C(C=C1)C(=CN=C2Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CNCC1=CC2=C(C=C1)C(=CN=C2Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O2/c1-16(2,3)22-14(21)9-19-7-10-4-5-11-12(6-10)15(18)20-8-13(11)17/h4-6,8,19H,7,9H2,1-3H3