(1S,6R)-6-(3-imidazol-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-(3-imidazol-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-(3-imidazol-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[3-(1-imidazolyl)propylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-(3-imidazol-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(3-imidazol-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCCCN2C=CN=C2)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NCCCN2C=CN=C2)C(=O)O

InChI

InChI=1S/C14H19N3O3/c18-13(11-4-1-2-5-12(11)14(19)20)16-6-3-8-17-9-7-15-10-17/h1-2,7,9-12H,3-6,8H2,(H,16,18)(H,19,20)/t11-,12+/m1/s1