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

Systemtic Name: (1S,6S)-6-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[(6-methyl-1,3-benzodioxol-5-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NC(=O)C3CC=CCC3C(=O)O)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)OCO2

InChI

InChI=1S/C16H17NO5/c1-9-6-13-14(22-8-21-13)7-12(9)17-15(18)10-4-2-3-5-11(10)16(19)20/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,17,18)(H,19,20)/t10-,11-/m0/s1