1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]isonipecotic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCC1C(=O)O)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H18N2O5/c18-14(8-17-5-3-10(4-6-17)15(19)20)16-11-1-2-12-13(7-11)22-9-21-12/h1-2,7,10H,3-6,8-9H2,(H,16,18)(H,19,20)