[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCCCCC4

InChI

InChI=1S/C23H24N2O4/c1-16-10-11-21(29-16)20-14-18(17-8-4-5-9-19(17)24-20)23(27)28-15-22(26)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3