[1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OC(C)C(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OC(C)C(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H25N3O4/c1-12-16-10-6-7-11-17(16)22-13(2)18(12)20(26)28-14(3)19(25)24-21(27)23-15-8-4-5-9-15/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H2,23,24,25,27)