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

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]-2-cyclopentyl-ethanoate Openeye Name: tert-butyl 2-cyclopentyl-2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]acetate CAS Name: 2-cyclopentyl-2-[[(1,4-dichloro-7-isoquinolinyl)-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyclopentyl-2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]acetate Traditional Name: 2-cyclopentyl-2-[(1,4-dichloroisoquinoline-7-carbonyl)amino]acetic acid tert-butyl ester Formula: C21H24Cl2N2O3 MolecularWeight: 423.33286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1CCCC1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(C1CCCC1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C21H24Cl2N2O3/c1-21(2,3)28-20(27)17(12-6-4-5-7-12)25-19(26)13-8-9-14-15(10-13)18(23)24-11-16(14)22/h8-12,17H,4-7H2,1-3H3,(H,25,26)