2-[[1-(2-methylpropyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(2-methylpropyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(4-hydroxy-1-isobutyl-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[[4-hydroxy-1-(2-methylpropyl)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-1-(2-methylpropyl)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[(4-hydroxy-1-isobutyl-isoquinoline-3-carbonyl)amino]acetic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C2=CC=CC=C21)O)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)CC1=NC(=C(C2=CC=CC=C21)O)C(=O)NCC(=O)O

InChI

InChI=1S/C16H18N2O4/c1-9(2)7-12-10-5-3-4-6-11(10)15(21)14(18-12)16(22)17-8-13(19)20/h3-6,9,21H,7-8H2,1-2H3,(H,17,22)(H,19,20)