tert-butyl N-[[6-chloranyl-4-(cyclopentylmethoxy)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[6-chloranyl-4-(cyclopentylmethoxy)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-chloro-4-(cyclopentylmethoxy)-2-methyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-chloro-4-(cyclopentylmethoxy)-2-methyl-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-chloro-4-(cyclopentylmethoxy)-2-methyl-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-chloro-4-(cyclopentylmethoxy)-1-keto-2-methyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C22H29ClN2O4 MolecularWeight: 420.92966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)OCC3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)OCC3CCCC3

InChI

InChI=1S/C22H29ClN2O4/c1-22(2,3)29-21(27)24-12-18-19(28-13-14-7-5-6-8-14)17-11-15(23)9-10-16(17)20(26)25(18)4/h9-11,14H,5-8,12-13H2,1-4H3,(H,24,27)