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

Systemtic Name: 2-[(7-butoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7-butoxy-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(7-butoxy-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7-butoxy-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(7-butoxy-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=CN=C(C(=C2C=C1)O)C(=O)NCC(=O)O

Isomeric SMILES

CCCCOC1=CC2=CN=C(C(=C2C=C1)O)C(=O)NCC(=O)O

InChI

InChI=1S/C16H18N2O5/c1-2-3-6-23-11-4-5-12-10(7-11)8-17-14(15(12)21)16(22)18-9-13(19)20/h4-5,7-8,21H,2-3,6,9H2,1H3,(H,18,22)(H,19,20)