[6-(3-azanyl-3-oxidanylidene-propyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methylcarbamic acid

Systemtic Name: [6-(3-azanyl-3-oxidanylidene-propyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methylcarbamic acid Openeye Name: [6-(3-amino-3-oxo-propyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methylcarbamic acid CAS Name: [6-(3-amino-3-oxopropyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methylcarbamic acid IUPAC Name: [6-(3-amino-3-oxopropyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methylcarbamic acid Traditional Name: [6-(3-amino-3-keto-propyl)-4-butoxy-1-keto-2-neopentyl-3-isoquinolyl]methylcarbamic acid Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CCC(=O)N)CC(C)(C)C)CNC(=O)O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CCC(=O)N)CC(C)(C)C)CNC(=O)O

InChI

InChI=1S/C23H33N3O5/c1-5-6-11-31-20-17-12-15(8-10-19(24)27)7-9-16(17)21(28)26(14-23(2,3)4)18(20)13-25-22(29)30/h7,9,12,25H,5-6,8,10-11,13-14H2,1-4H3,(H2,24,27)(H,29,30)