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

Systemtic Name: ethyl 2-[(2-butyl-3-oxidanylidene-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoate Openeye Name: ethyl 2-[(2-butyl-3-oxo-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoate CAS Name: 2-[(2-butyl-3-oxo-1-cyclopentenyl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-butyl-3-oxocyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoate Traditional Name: 2-[(2-butyl-3-keto-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid ethyl ester Formula: C28H32N4O3 MolecularWeight: 472.57868

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O3/c1-3-5-6-23-24(11-12-26(23)33)32-25(28(34)35-4-2)17-19-7-9-21(10-8-19)31-27-22-14-15-29-18-20(22)13-16-30-27/h7-10,13-16,18,25,32H,3-6,11-12,17H2,1-2H3,(H,30,31)