(3R,4S)-4-(2-dimethylaminoethylcarbamoyl)-1-(phenylmethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (3R,4S)-4-(2-dimethylaminoethylcarbamoyl)-1-(phenylmethyl)pyrrolidine-3-carboxylic acid Openeye Name: (3R,4S)-1-benzyl-4-(2-dimethylaminoethylcarbamoyl)pyrrolidine-3-carboxylic acid CAS Name: (3R,4S)-4-[(2-dimethylaminoethylamino)-oxomethyl]-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (3R,4S)-1-benzyl-4-(2-dimethylaminoethylcarbamoyl)pyrrolidine-3-carboxylic acid Traditional Name: (3R,4S)-1-benzyl-4-(2-dimethylaminoethylcarbamoyl)pyrrolidine-3-carboxylic acid Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1CN(CC1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CN(C)CCNC(=O)[C@@H]1CN(C[C@@H]1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O3/c1-19(2)9-8-18-16(21)14-11-20(12-15(14)17(22)23)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)(H,22,23)/t14-,15+/m1/s1