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

Systemtic Name: 2-azanyl-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(cinchoninoylamino)phenyl]propionic acid Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C19H17N3O3/c20-16(19(24)25)11-12-5-7-13(8-6-12)22-18(23)15-9-10-21-17-4-2-1-3-14(15)17/h1-10,16H,11,20H2,(H,22,23)(H,24,25)