(1S,6S)-6-(4-ethylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-(4-ethylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-(4-ethylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[(4-ethyl-1-piperazinyl)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-(4-ethylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-(4-ethylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Formula: C14H22N2O3 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H]2CC=CC[C@@H]2C(=O)O

InChI

InChI=1S/C14H22N2O3/c1-2-15-7-9-16(10-8-15)13(17)11-5-3-4-6-12(11)14(18)19/h3-4,11-12H,2,5-10H2,1H3,(H,18,19)/t11-,12-/m0/s1