6-ethyl-2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 6-ethyl-2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-ethyl-2-[5-(4-isopropylphenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-ethyl-2-[5-(4-propan-2-ylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-ethyl-2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-ethyl-2-(5-p-cumenyl-2-furyl)cinchoninate Formula: C25H22NO3- MolecularWeight: 384.44708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H23NO3/c1-4-16-5-10-21-19(13-16)20(25(27)28)14-22(26-21)24-12-11-23(29-24)18-8-6-17(7-9-18)15(2)3/h5-15H,4H2,1-3H3,(H,27,28)/p-1