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

Systemtic Name: 2-(isoquinolin-3-ylcarbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid Openeye Name: 2-(isoquinoline-3-carbonylamino)-3-[4-(2-quinolylmethoxy)phenyl]propanoic acid CAS Name: 2-[[3-isoquinolinyl(oxo)methyl]amino]-3-[4-(2-quinolinylmethoxy)phenyl]propanoic acid IUPAC Name: 2-(isoquinoline-3-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid Traditional Name: 2-(isoquinoline-3-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=CC(=N2)COC3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

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