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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-pyrrol-1-yl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(4-butoxy-2-isobutyl-1-oxo-6-pyrrol-1-yl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-(1-pyrrolyl)-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-pyrrol-1-ylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-2-isobutyl-1-keto-6-pyrrol-1-yl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)N3C=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)N3C=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H37N3O4/c1-7-8-15-33-24-22-16-20(29-13-9-10-14-29)11-12-21(22)25(31)30(18-19(2)3)23(24)17-28-26(32)34-27(4,5)6/h9-14,16,19H,7-8,15,17-18H2,1-6H3,(H,28,32)