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

Systemtic Name: (1R,6S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)O)C

InChI

InChI=1S/C18H21NO5/c1-10-7-13(14(18(21)22)8-11(10)2)17(20)19-12-3-4-15-16(9-12)24-6-5-23-15/h3-4,9,13-14H,5-8H2,1-2H3,(H,19,20)(H,21,22)/t13-,14+/m0/s1