[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] (3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C3CC(=O)N(C3)C4=CC=CC=C4F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN2O4/c23-18-6-1-2-7-19(18)25-12-16(11-21(25)27)22(28)29-13-20(26)24-17-9-8-14-4-3-5-15(14)10-17/h1-2,6-10,16H,3-5,11-13H2,(H,24,26)/t16-/m0/s1