[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)NC3CCCCCC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)NC3CCCCCC3)C

InChI

InChI=1S/C22H28N2O3/c1-14-10-11-20-18(12-14)19(13-15(2)23-20)22(26)27-16(3)21(25)24-17-8-6-4-5-7-9-17/h10-13,16-17H,4-9H2,1-3H3,(H,24,25)