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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylic acid; phenyl 2-azanyl-3-phenyl-propanoate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylic acid; phenyl 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid phenyl ester; 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid; phenyl 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid phenyl ester; 1-(2-keto-3,3-dimethyl-pentanoyl)proline Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)O.C1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)N

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)O.C1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)N

InChI

InChI=1S/C15H15NO2.C12H19NO4/c16-14(11-12-7-3-1-4-8-12)15(17)18-13-9-5-2-6-10-13;1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h1-10,14H,11,16H2;8H,4-7H2,1-3H3,(H,16,17)