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

Systemtic Name: (1R,6S)-6-(dibenzofuran-3-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-(dibenzofuran-3-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(3-dibenzofuranylamino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-(dibenzofuran-3-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-(dibenzofuran-3-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4O3)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4O3)C(=O)O)C

InChI

InChI=1S/C22H21NO4/c1-12-9-17(18(22(25)26)10-13(12)2)21(24)23-14-7-8-16-15-5-3-4-6-19(15)27-20(16)11-14/h3-8,11,17-18H,9-10H2,1-2H3,(H,23,24)(H,25,26)/t17-,18+/m0/s1