[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(1-methylhexylamino)-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-(heptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-keto-2-(1-methylhexylamino)ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2N=C1C)C

Isomeric SMILES

CCCCCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2N=C1C)C

InChI

InChI=1S/C21H28N2O3/c1-5-6-7-10-14(2)22-19(24)13-26-21(25)20-15(3)17-11-8-9-12-18(17)23-16(20)4/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,22,24)