[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate CAS Name: 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]-4-quinolinecarboxylic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate Traditional Name: 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]cinchoninic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C35H37NO4 MolecularWeight: 535.67258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C35H37NO4/c1-4-5-24-7-9-25(10-8-24)26-11-13-27(14-12-26)33-21-31(30-20-23(2)6-19-32(30)36-33)35(38)40-22-34(37)28-15-17-29(39-3)18-16-28/h6,11-21,24-25H,4-5,7-10,22H2,1-3H3