(3R)-1-[(4-nonylphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (3R)-1-[(4-nonylphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid Openeye Name: (3R)-1-[(4-nonylphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid CAS Name: (3R)-1-[(4-nonylphenyl)methyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (3R)-1-[(4-nonylphenyl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid Traditional Name: (3R)-1-(4-nonylbenzyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid Formula: C22H32F3NO2 MolecularWeight: 399.49019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CN2CC(C(C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CN2C[C@@H](C(C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H32F3NO2/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-26-15-19(21(27)28)20(16-26)22(23,24)25/h10-13,19-20H,2-9,14-16H2,1H3,(H,27,28)/t19-,20?/m0/s1