4-[[(1S,6R)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoic acid

Systemtic Name: 4-[[(1S,6R)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoic acid Openeye Name: 4-[[(1S,6R)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoic acid CAS Name: 4-[[[[(1S,6R)-6-[dimethylamino(oxo)methyl]-1-cyclohex-2-enyl]amino]-oxomethoxy]methyl]benzoic acid IUPAC Name: 4-[[(1S,6R)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoic acid Traditional Name: 4-[[(1S,6R)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC=CC1NC(=O)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)C(=O)[C@@H]1CCC=C[C@@H]1NC(=O)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H22N2O5/c1-20(2)16(21)14-5-3-4-6-15(14)19-18(24)25-11-12-7-9-13(10-8-12)17(22)23/h4,6-10,14-15H,3,5,11H2,1-2H3,(H,19,24)(H,22,23)/t14-,15+/m1/s1