2-(isoquinolin-1-ylcarbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid

Systemtic Name: 2-(isoquinolin-1-ylcarbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid Openeye Name: 2-(isoquinoline-1-carbonylamino)-3-[4-(2-quinolylmethoxy)phenyl]propanoic acid CAS Name: 2-[[1-isoquinolinyl(oxo)methyl]amino]-3-[4-(2-quinolinylmethoxy)phenyl]propanoic acid IUPAC Name: 2-(isoquinoline-1-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid Traditional Name: 2-(isoquinoline-1-carbonylamino)-3-[4-(2-quinolylmethoxy)phenyl]propionic acid Formula: C29H23N3O4 MolecularWeight: 477.51062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C(=O)NC(CC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C(=O)NC(CC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C29H23N3O4/c33-28(27-24-7-3-1-5-20(24)15-16-30-27)32-26(29(34)35)17-19-9-13-23(14-10-19)36-18-22-12-11-21-6-2-4-8-25(21)31-22/h1-16,26H,17-18H2,(H,32,33)(H,34,35)