1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]proline Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)N2CCC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC(=O)N2CCC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C16H20N2O3/c19-15(11-17-8-3-6-14(17)16(20)21)18-9-7-12-4-1-2-5-13(12)10-18/h1-2,4-5,14H,3,6-11H2,(H,20,21)