(2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-2-ethyl-3-methyl-piperidine-3-carboxylic acid

Systemtic Name: (2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-2-ethyl-3-methyl-piperidine-3-carboxylic acid Openeye Name: (2S)-1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-2-ethyl-3-methyl-piperidine-3-carboxylic acid CAS Name: (2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-2-ethyl-3-methyl-3-piperidinecarboxylic acid IUPAC Name: (2S)-1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-2-ethyl-3-methylpiperidine-3-carboxylic acid Traditional Name: (2S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-2-ethyl-3-methyl-nipecotic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCCN1C(=O)C2COC3=CC=CC=C3O2)(C)C(=O)O

Isomeric SMILES

CC[C@H]1C(CCCN1C(=O)[C@H]2COC3=CC=CC=C3O2)(C)C(=O)O

InChI

InChI=1S/C18H23NO5/c1-3-15-18(2,17(21)22)9-6-10-19(15)16(20)14-11-23-12-7-4-5-8-13(12)24-14/h4-5,7-8,14-15H,3,6,9-11H2,1-2H3,(H,21,22)/t14-,15+,18?/m1/s1