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

Systemtic Name: ethyl 1-[2-[(4-dimethylaminophenyl)methylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-dimethylaminophenyl)methylamino]-3,4-dioxo-cyclobuten-1-yl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-dimethylaminophenyl)methylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-dimethylaminophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-(dimethylamino)benzyl]amino]-3,4-diketo-cyclobuten-1-yl]isonipecotic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H27N3O4/c1-4-28-21(27)15-9-11-24(12-10-15)18-17(19(25)20(18)26)22-13-14-5-7-16(8-6-14)23(2)3/h5-8,15,22H,4,9-13H2,1-3H3