[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H27FN2O4 MolecularWeight: 426.480583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H27FN2O4/c1-4-11-27-16(2)14-21(17(27)3)22(28)15-31-24(30)19-9-12-26(13-10-19)23(29)18-5-7-20(25)8-6-18/h4-8,14,19H,1,9-13,15H2,2-3H3