1-[2-(dimethylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid hydrate

Systemtic Name: 1-[2-(dimethylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid hydrate Openeye Name: 1-[2-(dimethylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid hydrate CAS Name: 1-[2-(dimethylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid hydrate IUPAC Name: 1-[2-(dimethylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid hydrate Traditional Name: 1-[2-(dimethylamino)-3-phenyl-propanoyl]proline hydrate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O.O

Isomeric SMILES

CN(C)C(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O.O

InChI

InChI=1S/C16H22N2O3.H2O/c1-17(2)14(11-12-7-4-3-5-8-12)15(19)18-10-6-9-13(18)16(20)21;/h3-5,7-8,13-14H,6,9-11H2,1-2H3,(H,20,21);1H2