[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 1-(2-furylmethylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[(2-furanylmethylamino)-oxomethyl]-4-piperidinecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 1-(furan-2-ylmethylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(2-furfurylcarbamoyl)isonipecotic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C24H31N3O5/c1-24(2,3)18-6-8-19(9-7-18)26-21(28)16-32-22(29)17-10-12-27(13-11-17)23(30)25-15-20-5-4-14-31-20/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,25,30)(H,26,28)