1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylic acid; ethyl 2-azanyl-3-phenyl-propanoate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylic acid; ethyl 2-azanyl-3-phenyl-propanoate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylic acid; ethyl 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid ethyl ester; 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid; ethyl 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid ethyl ester; 1-(2-keto-3,3-dimethyl-pentanoyl)proline Formula: C23H34N2O6 MolecularWeight: 434.52586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)O.CCOC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)O.CCOC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C12H19NO4.C11H15NO2/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17;1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h8H,4-7H2,1-3H3,(H,16,17);3-7,10H,2,8,12H2,1H3