[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C29H22N2O4 MolecularWeight: 462.49598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NCC5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NCC5=CC=CO5

InChI

InChI=1S/C29H22N2O4/c32-28(30-18-23-9-6-16-34-23)19-35-29(33)25-17-27(31-26-11-5-4-10-24(25)26)22-14-12-21(13-15-22)20-7-2-1-3-8-20/h1-17H,18-19H2,(H,30,32)