[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 1-(2-furylmethylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[(2-furanylmethylamino)-oxomethyl]-4-piperidinecarboxylic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 1-(furan-2-ylmethylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(2-furfurylcarbamoyl)isonipecotic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3CCN(CC3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3CCN(CC3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C28H33N3O5/c1-20-17-25(21(2)31(20)15-10-22-7-4-3-5-8-22)26(32)19-36-27(33)23-11-13-30(14-12-23)28(34)29-18-24-9-6-16-35-24/h3-9,16-17,23H,10-15,18-19H2,1-2H3,(H,29,34)