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

Systemtic Name: 2-[(2-butyl-3-oxidanylidene-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoic acid Openeye Name: 2-[(2-butyl-3-oxo-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoic acid CAS Name: 2-[(2-butyl-3-oxo-1-cyclopentenyl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoic acid IUPAC Name: 2-[(2-butyl-3-oxocyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoic acid Traditional Name: 2-[(2-butyl-3-keto-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(CCC1=O)NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O

Isomeric SMILES

CCCCC1=C(CCC1=O)NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=CN=C4)C(=O)O

InChI

InChI=1S/C26H28N4O3/c1-2-3-4-21-22(9-10-24(21)31)30-23(26(32)33)15-17-5-7-19(8-6-17)29-25-20-12-13-27-16-18(20)11-14-28-25/h5-8,11-14,16,23,30H,2-4,9-10,15H2,1H3,(H,28,29)(H,32,33)