(2S,4R)-4-[3,3-dimethylbutanoyl-(3-methoxyphenyl)amino]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-[3,3-dimethylbutanoyl-(3-methoxyphenyl)amino]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-[N-(3,3-dimethylbutanoyl)-3-methoxy-anilino]pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-(N-(3,3-dimethyl-1-oxobutyl)-3-methoxyanilino)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-[N-(3,3-dimethylbutanoyl)-3-methoxyanilino]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-[N-(3,3-dimethylbutanoyl)-3-methoxy-anilino]proline Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(C1CC(NC1)C(=O)O)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(C)CC(=O)N([C@@H]1C[C@H](NC1)C(=O)O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H26N2O4/c1-18(2,3)10-16(21)20(12-6-5-7-14(8-12)24-4)13-9-15(17(22)23)19-11-13/h5-8,13,15,19H,9-11H2,1-4H3,(H,22,23)/t13-,15+/m1/s1