(1S,6R)-6-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3CC=CCC3C(=O)O)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)OCO2

InChI

InChI=1S/C17H17NO6/c1-9(19)12-6-14-15(24-8-23-14)7-13(12)18-16(20)10-4-2-3-5-11(10)17(21)22/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,18,20)(H,21,22)/t10-,11+/m1/s1