(1S,6R)-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C16H17NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-10-5-6-13-14(9-10)22-8-7-21-13/h1-2,5-6,9,11-12H,3-4,7-8H2,(H,17,18)(H,19,20)/t11-,12+/m1/s1