[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H24N2O3/c1-14-7-8-18-16(11-14)17(12-15(2)21-18)20(24)25-13-19(23)22-9-5-3-4-6-10-22/h7-8,11-12H,3-6,9-10,13H2,1-2H3