3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]propanoic acid

Systemtic Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]propanoic acid Openeye Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-5-phenyl-cyclohexen-1-yl)amino]propanoic acid CAS Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-5-phenyl-1-cyclohexenyl)amino]propanoic acid IUPAC Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-5-phenylcyclohexen-1-yl)amino]propanoic acid Traditional Name: 2-[(3-keto-5-phenyl-cyclohexen-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C=C1NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C=C1NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3/c34-25-16-22(20-4-2-1-3-5-20)15-24(17-25)32-27(29(35)36)14-19-6-8-23(9-7-19)33-28-26-11-12-30-18-21(26)10-13-31-28/h1-13,17-18,22,27,32H,14-16H2,(H,31,33)(H,35,36)