tert-butyl 3-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 3-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 3-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(1,4-dichloro-7-isoquinolinyl)-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-3-phenyl-propionic acid tert-butyl ester Formula: C23H22Cl2N2O3 MolecularWeight: 445.33838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22Cl2N2O3/c1-23(2,3)30-20(28)12-19(14-7-5-4-6-8-14)27-22(29)15-9-10-16-17(11-15)21(25)26-13-18(16)24/h4-11,13,19H,12H2,1-3H3,(H,27,29)