[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C23H23NO3/c1-3-4-7-17-10-12-18(13-11-17)22(25)15-27-23(26)20-14-16(2)24-21-9-6-5-8-19(20)21/h5-6,8-14H,3-4,7,15H2,1-2H3