ethyl 1-[2-methyl-4,9-bis(oxidanylidene)benzo[f][1]benzofuran-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-methyl-4,9-bis(oxidanylidene)benzo[f][1]benzofuran-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(2-methyl-4,9-dioxo-benzo[f]benzofuran-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(2-methyl-4,9-dioxo-3-benzo[f]benzofuranyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(4,9-diketo-2-methyl-benzo[f]benzofuran-3-carbonyl)nipecotic acid ethyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H21NO6/c1-3-28-22(27)13-7-6-10-23(11-13)21(26)16-12(2)29-20-17(16)18(24)14-8-4-5-9-15(14)19(20)25/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3