4-[isoquinolin-5-ylcarbamoyl(methyl)amino]butanoic acid

Systemtic Name: 4-[isoquinolin-5-ylcarbamoyl(methyl)amino]butanoic acid Openeye Name: 4-[5-isoquinolylcarbamoyl(methyl)amino]butanoic acid CAS Name: 4-[[(5-isoquinolinylamino)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[isoquinolin-5-ylcarbamoyl(methyl)amino]butanoic acid Traditional Name: 4-[5-isoquinolylcarbamoyl(methyl)amino]butyric acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)NC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CN(CCCC(=O)O)C(=O)NC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C15H17N3O3/c1-18(9-3-6-14(19)20)15(21)17-13-5-2-4-11-10-16-8-7-12(11)13/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,17,21)(H,19,20)