5-(1-azanylisoquinolin-7-yl)oxy-4-[[4-(2-pyridin-4-ylethyl)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-(1-azanylisoquinolin-7-yl)oxy-4-[[4-(2-pyridin-4-ylethyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[[4-[2-(4-pyridyl)ethyl]benzoyl]amino]pentanoic acid CAS Name: 5-[(1-amino-7-isoquinolinyl)oxy]-4-[[oxo-[4-(2-pyridin-4-ylethyl)phenyl]methyl]amino]pentanoic acid IUPAC Name: 5-(1-aminoisoquinolin-7-yl)oxy-4-[[4-(2-pyridin-4-ylethyl)benzoyl]amino]pentanoic acid Traditional Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-[[4-[2-(4-pyridyl)ethyl]benzoyl]amino]valeric acid Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN=C2N)OCC(CCC(=O)O)NC(=O)C3=CC=C(C=C3)CCC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC2=C1C=CN=C2N)OCC(CCC(=O)O)NC(=O)C3=CC=C(C=C3)CCC4=CC=NC=C4

InChI

InChI=1S/C28H28N4O4/c29-27-25-17-24(9-7-21(25)13-16-31-27)36-18-23(8-10-26(33)34)32-28(35)22-5-3-19(4-6-22)1-2-20-11-14-30-15-12-20/h3-7,9,11-17,23H,1-2,8,10,18H2,(H2,29,31)(H,32,35)(H,33,34)