tert-butyl 6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-4-methoxy-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-4-methoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: tert-butyl 6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxo-3-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 6,7-dichloro-1-keto-4-methoxy-2-neopentyl-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C20H25Cl2NO4 MolecularWeight: 414.3228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(C2=CC(=C(C=C2C1=O)Cl)Cl)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)CN1C(=C(C2=CC(=C(C=C2C1=O)Cl)Cl)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25Cl2NO4/c1-19(2,3)10-23-15(18(25)27-20(4,5)6)16(26-7)11-8-13(21)14(22)9-12(11)17(23)24/h8-9H,10H2,1-7H3