2-(2-isoquinolin-5-yloxyethanoylamino)-3-methyl-pentanoic acid

Systemtic Name: 2-(2-isoquinolin-5-yloxyethanoylamino)-3-methyl-pentanoic acid Openeye Name: 2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylpentanoic acid Traditional Name: 2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methyl-valeric acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)COC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)COC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C17H20N2O4/c1-3-11(2)16(17(21)22)19-15(20)10-23-14-6-4-5-12-9-18-8-7-13(12)14/h4-9,11,16H,3,10H2,1-2H3,(H,19,20)(H,21,22)