1-[2-(1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl)ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl)ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(1-keto-4,5-dihydro-3H-2-benzazepin-2-yl)ethyl]isonipecotic acid Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=O)N(C1)CCN3CCC(CC3)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2C(=O)N(C1)CCN3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H24N2O3/c21-17-16-6-2-1-4-14(16)5-3-9-20(17)13-12-19-10-7-15(8-11-19)18(22)23/h1-2,4,6,15H,3,5,7-13H2,(H,22,23)