[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 6-methoxy-2-methyl-quinoline-3-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 6-methoxy-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 6-methoxy-2-methyl-quinoline-3-carboxylate CAS Name: 6-methoxy-2-methyl-3-quinolinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 6-methoxy-2-methylquinoline-3-carboxylate Traditional Name: 6-methoxy-2-methyl-quinoline-3-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4/c1-14-18(13-16-12-17(26-3)8-9-19(16)22-14)21(25)27-15(2)20(24)23-10-6-4-5-7-11-23/h8-9,12-13,15H,4-7,10-11H2,1-3H3