(2R)-1-[3-[(3-methylbutan-2-ylamino)methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[3-[(3-methylbutan-2-ylamino)methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[3-[(1,2-dimethylpropylamino)methyl]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[[3-[(3-methylbutan-2-ylamino)methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[3-[(3-methylbutan-2-ylamino)methyl]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[3-[(1,2-dimethylpropylamino)methyl]benzoyl]proline Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NCC1=CC=CC(=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C)C(C)NCC1=CC=CC(=C1)C(=O)N2CCC[C@@H]2C(=O)O

InChI

InChI=1S/C18H26N2O3/c1-12(2)13(3)19-11-14-6-4-7-15(10-14)17(21)20-9-5-8-16(20)18(22)23/h4,6-7,10,12-13,16,19H,5,8-9,11H2,1-3H3,(H,22,23)/t13?,16-/m1/s1