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

Systemtic Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-propyl-cyclopenten-1-yl)amino]propanoic acid Openeye Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-propyl-cyclopenten-1-yl)amino]propanoic acid CAS Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-propyl-1-cyclopentenyl)amino]propanoic acid IUPAC Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-propylcyclopenten-1-yl)amino]propanoic acid Traditional Name: 2-[(3-keto-2-propyl-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(CCC1=O)NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O

Isomeric SMILES

CCCC1=C(CCC1=O)NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O

InChI

InChI=1S/C25H26N4O3/c1-2-3-20-21(8-9-23(20)30)29-22(25(31)32)14-16-4-6-18(7-5-16)28-24-19-11-12-26-15-17(19)10-13-27-24/h4-7,10-13,15,22,29H,2-3,8-9,14H2,1H3,(H,27,28)(H,31,32)