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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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