tert-butyl N-[[6-aminocarbonyl-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[6-aminocarbonyl-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-6-carbamoyl-2-(cyclopropylmethyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-carbamoyl-2-(cyclopropylmethyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-carbamoyl-2-(cyclopropylmethyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-6-carbamoyl-2-(cyclopropylmethyl)-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)N)CC3CC3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)N)CC3CC3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C24H33N3O5/c1-5-6-11-31-20-18-12-16(21(25)28)9-10-17(18)22(29)27(14-15-7-8-15)19(20)13-26-23(30)32-24(2,3)4/h9-10,12,15H,5-8,11,13-14H2,1-4H3,(H2,25,28)(H,26,30)