3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-phenyl-cyclopenten-1-yl)amino]propanoic acid

Systemtic Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-phenyl-cyclopenten-1-yl)amino]propanoic acid Openeye Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-phenyl-cyclopenten-1-yl)amino]propanoic acid CAS Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-phenyl-1-cyclopentenyl)amino]propanoic acid IUPAC Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-phenylcyclopenten-1-yl)amino]propanoic acid Traditional Name: 2-[(3-keto-2-phenyl-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C1NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CC(=O)C(=C1NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O3/c33-25-11-10-23(26(25)19-4-2-1-3-5-19)32-24(28(34)35)16-18-6-8-21(9-7-18)31-27-22-13-14-29-17-20(22)12-15-30-27/h1-9,12-15,17,24,32H,10-11,16H2,(H,30,31)(H,34,35)