methyl 2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(2-amino-2-oxo-ethoxy)benzoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[4-(2-amino-2-oxoethoxy)phenyl]-oxomethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-amino-2-oxoethoxy)benzoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(2-amino-2-keto-ethoxy)benzoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)OCC(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)OCC(=O)N)C(=O)OC

InChI

InChI=1S/C22H20N2O6/c1-13-16-5-3-4-6-17(16)24-18(20(13)22(27)28-2)11-30-21(26)14-7-9-15(10-8-14)29-12-19(23)25/h3-10H,11-12H2,1-2H3,(H2,23,25)