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

Systemtic Name: 2-(cinnolin-4-ylcarbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid Openeye Name: 2-(cinnoline-4-carbonylamino)-3-[4-(2-quinolylmethoxy)phenyl]propanoic acid CAS Name: 2-[[4-cinnolinyl(oxo)methyl]amino]-3-[4-(2-quinolinylmethoxy)phenyl]propanoic acid IUPAC Name: 2-(cinnoline-4-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid Traditional Name: 2-(cinnoline-4-carbonylamino)-3-[4-(2-quinolylmethoxy)phenyl]propionic acid Formula: C28H22N4O4 MolecularWeight: 478.49868

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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=CN=NC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=CN=NC5=CC=CC=C54

InChI

InChI=1S/C28H22N4O4/c33-27(23-16-29-32-25-8-4-2-6-22(23)25)31-26(28(34)35)15-18-9-13-21(14-10-18)36-17-20-12-11-19-5-1-3-7-24(19)30-20/h1-14,16,26H,15,17H2,(H,31,33)(H,34,35)