[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C30H23NO3 MolecularWeight: 445.50852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H23NO3/c1-19-14-15-20(2)25(16-19)29(32)18-34-30(33)26-17-28(31-27-13-6-5-11-24(26)27)23-12-7-9-21-8-3-4-10-22(21)23/h3-17H,18H2,1-2H3