2-[(4-oxidanyl-7-pentan-3-yloxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(4-oxidanyl-7-pentan-3-yloxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[[7-(1-ethylpropoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[(4-hydroxy-7-pentan-3-yloxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-hydroxy-7-pentan-3-yloxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[[7-(1-ethylpropoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=CC2=CN=C(C(=C2C=C1)O)C(=O)NCC(=O)O

Isomeric SMILES

CCC(CC)OC1=CC2=CN=C(C(=C2C=C1)O)C(=O)NCC(=O)O

InChI

InChI=1S/C17H20N2O5/c1-3-11(4-2)24-12-5-6-13-10(7-12)8-18-15(16(13)22)17(23)19-9-14(20)21/h5-8,11,22H,3-4,9H2,1-2H3,(H,19,23)(H,20,21)