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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,4-dioxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butanoyl]isonipecotic acid Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H24N2O4/c22-17(20-10-8-15(9-11-20)19(24)25)5-6-18(23)21-12-7-14-3-1-2-4-16(14)13-21/h1-4,15H,5-13H2,(H,24,25)