[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-(2-methylpropyl)quinoline-4-carboxylate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-(2-methylpropyl)quinoline-4-carboxylate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 2-isobutylquinoline-4-carboxylate CAS Name: 2-(2-methylpropyl)-4-quinolinecarboxylic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methylpropyl)quinoline-4-carboxylate Traditional Name: 2-isobutylcinchoninic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3CCCCC3

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C22H28N2O3/c1-15(2)12-17-13-19(18-10-6-7-11-20(18)23-17)22(26)27-14-21(25)24-16-8-4-3-5-9-16/h6-7,10-11,13,15-16H,3-5,8-9,12,14H2,1-2H3,(H,24,25)