(phenylmethyl) 2-[3-(3-fluorophenyl)-4-methanoyl-pyrrolidin-1-yl]-3,3-dimethyl-butanoate

Systemtic Name: (phenylmethyl) 2-[3-(3-fluorophenyl)-4-methanoyl-pyrrolidin-1-yl]-3,3-dimethyl-butanoate Openeye Name: benzyl 2-[3-(3-fluorophenyl)-4-formyl-pyrrolidin-1-yl]-3,3-dimethyl-butanoate CAS Name: 2-[3-(3-fluorophenyl)-4-formyl-1-pyrrolidinyl]-3,3-dimethylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(3-fluorophenyl)-4-formylpyrrolidin-1-yl]-3,3-dimethylbutanoate Traditional Name: 2-[3-(3-fluorophenyl)-4-formyl-pyrrolidino]-3,3-dimethyl-butyric acid benzyl ester Formula: C24H28FNO3 MolecularWeight: 397.482423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)OCC1=CC=CC=C1)N2CC(C(C2)C3=CC(=CC=C3)F)C=O

Isomeric SMILES

CC(C)(C)C(C(=O)OCC1=CC=CC=C1)N2CC(C(C2)C3=CC(=CC=C3)F)C=O

InChI

InChI=1S/C24H28FNO3/c1-24(2,3)22(23(28)29-16-17-8-5-4-6-9-17)26-13-19(15-27)21(14-26)18-10-7-11-20(25)12-18/h4-12,15,19,21-22H,13-14,16H2,1-3H3