(phenylmethyl) (2S)-1-(3,5-dimethylphenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-(3,5-dimethylphenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(3,5-dimethylbenzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3,5-dimethylphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(3,5-dimethylbenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,5-dimethylbenzoyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO3/c1-15-11-16(2)13-18(12-15)20(23)22-10-6-9-19(22)21(24)25-14-17-7-4-3-5-8-17/h3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3/t19-/m0/s1