[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C

InChI

InChI=1S/C23H23NO3/c1-4-16-10-12-17(13-11-16)21(25)14-27-23(26)22-15(3)19(5-2)24-20-9-7-6-8-18(20)22/h6-13H,4-5,14H2,1-3H3