ethyl (2S)-2-[4-[[2-(isoquinolin-7-ylamino)pyridin-3-yl]carbonylamino]phenyl]propanoate

Systemtic Name: ethyl (2S)-2-[4-[[2-(isoquinolin-7-ylamino)pyridin-3-yl]carbonylamino]phenyl]propanoate Openeye Name: ethyl (2S)-2-[4-[[2-(7-isoquinolylamino)pyridine-3-carbonyl]amino]phenyl]propanoate CAS Name: (2S)-2-[4-[[[2-(7-isoquinolinylamino)-3-pyridinyl]-oxomethyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-[[2-(isoquinolin-7-ylamino)pyridine-3-carbonyl]amino]phenyl]propanoate Traditional Name: (2S)-2-[4-[[2-(7-isoquinolylamino)nicotinoyl]amino]phenyl]propionic acid ethyl ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NC3=CC4=C(C=C3)C=CN=C4

Isomeric SMILES

CCOC(=O)[C@@H](C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)NC3=CC4=C(C=C3)C=CN=C4

InChI

InChI=1S/C26H24N4O3/c1-3-33-26(32)17(2)18-6-9-21(10-7-18)30-25(31)23-5-4-13-28-24(23)29-22-11-8-19-12-14-27-16-20(19)15-22/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/t17-/m0/s1