[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-(4-isopropylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 2-p-cumenylcinchoninic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H27NO3/c1-4-20-9-11-23(12-10-20)28(31)18-33-29(32)25-17-27(30-26-8-6-5-7-24(25)26)22-15-13-21(14-16-22)19(2)3/h5-17,19H,4,18H2,1-3H3