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

Systemtic Name: ethyl 1-[2-(3,4-dimethylphenyl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethylphenyl)-3,4-dioxo-cyclobuten-1-yl]piperidine-3-carboxylate CAS Name: 1-[2-(3,4-dimethylphenyl)-3,4-dioxo-1-cyclobutenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethylphenyl)-3,4-dioxocyclobuten-1-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(3,4-dimethylphenyl)-3,4-diketo-cyclobuten-1-yl]nipecotic acid ethyl ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H23NO4/c1-4-25-20(24)15-6-5-9-21(11-15)17-16(18(22)19(17)23)14-8-7-12(2)13(3)10-14/h7-8,10,15H,4-6,9,11H2,1-3H3