2-[(2-hexyl-4,4-dimethyl-3-oxidanylidene-cyclobuten-1-yl)amino]-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate

Systemtic Name: 2-[(2-hexyl-4,4-dimethyl-3-oxidanylidene-cyclobuten-1-yl)amino]-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate Openeye Name: 2-[(2-hexyl-4,4-dimethyl-3-oxo-cyclobuten-1-yl)amino]-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate CAS Name: 2-[(2-hexyl-4,4-dimethyl-3-oxo-1-cyclobutenyl)amino]-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate IUPAC Name: 2-[(2-hexyl-4,4-dimethyl-3-oxocyclobuten-1-yl)amino]-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate Traditional Name: 2-[(2-hexyl-3-keto-4,4-dimethyl-cyclobuten-1-yl)amino]-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propionate Formula: C29H32N3O4- MolecularWeight: 486.58208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(C1=O)(C)C)NC(CC2=CC=C(C=C2)OC3=NC=CC4=C3C=NC=C4)C(=O)[O-]

Isomeric SMILES

CCCCCCC1=C(C(C1=O)(C)C)NC(CC2=CC=C(C=C2)OC3=NC=CC4=C3C=NC=C4)C(=O)[O-]

InChI

InChI=1S/C29H33N3O4/c1-4-5-6-7-8-22-25(29(2,3)26(22)33)32-24(28(34)35)17-19-9-11-21(12-10-19)36-27-23-18-30-15-13-20(23)14-16-31-27/h9-16,18,24,32H,4-8,17H2,1-3H3,(H,34,35)/p-1