(1-azanylisoquinolin-6-yl)methyl 2-[(1-aminocarbonylcyclopentyl)amino]ethanoate

Systemtic Name: (1-azanylisoquinolin-6-yl)methyl 2-[(1-aminocarbonylcyclopentyl)amino]ethanoate Openeye Name: (1-amino-6-isoquinolyl)methyl 2-[(1-carbamoylcyclopentyl)amino]acetate CAS Name: 2-[(1-carbamoylcyclopentyl)amino]acetic acid (1-amino-6-isoquinolinyl)methyl ester IUPAC Name: (1-aminoisoquinolin-6-yl)methyl 2-[(1-carbamoylcyclopentyl)amino]acetate Traditional Name: 2-[(1-carbamoylcyclopentyl)amino]acetic acid (1-amino-6-isoquinolyl)methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N)NCC(=O)OCC2=CC3=C(C=C2)C(=NC=C3)N

Isomeric SMILES

C1CCC(C1)(C(=O)N)NCC(=O)OCC2=CC3=C(C=C2)C(=NC=C3)N

InChI

InChI=1S/C18H22N4O3/c19-16-14-4-3-12(9-13(14)5-8-21-16)11-25-15(23)10-22-18(17(20)24)6-1-2-7-18/h3-5,8-9,22H,1-2,6-7,10-11H2,(H2,19,21)(H2,20,24)