[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C28H21N3O3 MolecularWeight: 447.48464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=CC=C4)/N

InChI

InChI=1S/C28H21N3O3/c1-18(30)24(16-29)27(32)17-34-28(33)23-15-26(31-25-10-6-5-9-22(23)25)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-15H,17,30H2,1H3/b24-18+