ethyl 4-[2-[2-(4-methylphenyl)ethylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(4-methylphenyl)ethylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3,4-dioxo-2-[2-(p-tolyl)ethylamino]cyclobuten-1-yl]piperazine-1-carboxylate CAS Name: 4-[2-[2-(4-methylphenyl)ethylamino]-3,4-dioxo-1-cyclobutenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-methylphenyl)ethylamino]-3,4-dioxocyclobuten-1-yl]piperazine-1-carboxylate Traditional Name: 4-[3,4-diketo-2-[2-(p-tolyl)ethylamino]cyclobuten-1-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCC3=CC=C(C=C3)C

InChI

InChI=1S/C20H25N3O4/c1-3-27-20(26)23-12-10-22(11-13-23)17-16(18(24)19(17)25)21-9-8-15-6-4-14(2)5-7-15/h4-7,21H,3,8-13H2,1-2H3