tert-butyl 4-[3-(furan-2-ylcarbonylamino)-4-methyl-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(furan-2-ylcarbonylamino)-4-methyl-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(furan-2-carbonylamino)-4-methyl-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[2-furanyl(oxo)methyl]amino]-4-methylphenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(furan-2-carbonylamino)-4-methylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-furoylamino)-4-methyl-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H27N3O5/c1-15-7-8-16(14-17(15)23-19(26)18-6-5-13-29-18)20(27)24-9-11-25(12-10-24)21(28)30-22(2,3)4/h5-8,13-14H,9-12H2,1-4H3,(H,23,26)