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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=CN=C(C(=C2C=C1)O)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCOC1=CC2=CN=C(C(=C2C=C1)O)C(=O)NCC(=O)O

InChI

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