2-(2-oxidanylidenepyrrolidin-1-yl)benzenecarboximidamide; 2-phenylpropanoic acid

Systemtic Name: 2-(2-oxidanylidenepyrrolidin-1-yl)benzenecarboximidamide; 2-phenylpropanoic acid Openeye Name: 2-(2-oxopyrrolidin-1-yl)benzamidine; 2-phenylpropanoic acid CAS Name: 2-(2-oxo-1-pyrrolidinyl)benzenecarboximidamide; 2-phenylpropanoic acid IUPAC Name: 2-(2-oxopyrrolidin-1-yl)benzenecarboximidamide; 2-phenylpropanoic acid Traditional Name: hydratropic acid; 2-(2-ketopyrrolidino)benzamidine Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)O.C1CC(=O)N(C1)C2=CC=CC=C2C(=N)N

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)O.C1CC(=O)N(C1)C2=CC=CC=C2C(=N)N

InChI

InChI=1S/C11H13N3O.C9H10O2/c12-11(13)8-4-1-2-5-9(8)14-7-3-6-10(14)15;1-7(9(10)11)8-5-3-2-4-6-8/h1-2,4-5H,3,6-7H2,(H3,12,13);2-7H,1H3,(H,10,11)