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

Systemtic Name: ethyl 1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dioxo-cyclobuten-1-yl]piperidine-3-carboxylate CAS Name: 1-[2-(4-cyclohexyl-1-piperazinyl)-3,4-dioxo-1-cyclobutenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-cyclohexylpiperazin-1-yl)-3,4-dioxocyclobuten-1-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-cyclohexylpiperazino)-3,4-diketo-cyclobuten-1-yl]nipecotic acid ethyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C22H33N3O4/c1-2-29-22(28)16-7-6-10-25(15-16)19-18(20(26)21(19)27)24-13-11-23(12-14-24)17-8-4-3-5-9-17/h16-17H,2-15H2,1H3