ethyl 1-[2-(azepan-1-yl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(azepan-1-yl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(azepan-1-yl)-3,4-dioxo-cyclobuten-1-yl]piperidine-4-carboxylate CAS Name: 1-[2-(1-azepanyl)-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(azepan-1-yl)-3,4-dioxocyclobuten-1-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(azepan-1-yl)-3,4-diketo-cyclobuten-1-yl]isonipecotic acid ethyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)N3CCCCCC3

InChI

InChI=1S/C18H26N2O4/c1-2-24-18(23)13-7-11-20(12-8-13)15-14(16(21)17(15)22)19-9-5-3-4-6-10-19/h13H,2-12H2,1H3