2-[1-[2-[(1-azanylisoquinolin-6-yl)carbonylamino]propanoyl]piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[2-[(1-azanylisoquinolin-6-yl)carbonylamino]propanoyl]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[2-[(1-aminoisoquinoline-6-carbonyl)amino]propanoyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[2-[[(1-amino-6-isoquinolinyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[2-[(1-aminoisoquinoline-6-carbonyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[2-[(1-aminoisoquinoline-6-carbonyl)amino]propanoyl]-4-piperidyl]oxy]acetic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)OCC(=O)O)NC(=O)C2=CC3=C(C=C2)C(=NC=C3)N

Isomeric SMILES

CC(C(=O)N1CCC(CC1)OCC(=O)O)NC(=O)C2=CC3=C(C=C2)C(=NC=C3)N

InChI

InChI=1S/C20H24N4O5/c1-12(20(28)24-8-5-15(6-9-24)29-11-17(25)26)23-19(27)14-2-3-16-13(10-14)4-7-22-18(16)21/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3,(H2,21,22)(H,23,27)(H,25,26)