2-[3-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[3-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 2-[3-[3-(2,3-dihydrobenzofuran-6-yl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 2-[[3-[3-(2,3-dihydrobenzofuran-6-yl)phenyl]-1-oxopropyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 2-[3-(3-coumaran-6-ylphenyl)propanoylamino]cyclohexene-1-carboxylic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=CC=CC(=C2)C3=CC4=C(CCO4)C=C3

Isomeric SMILES

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=CC=CC(=C2)C3=CC4=C(CCO4)C=C3

InChI

InChI=1S/C24H25NO4/c26-23(25-21-7-2-1-6-20(21)24(27)28)11-8-16-4-3-5-18(14-16)19-10-9-17-12-13-29-22(17)15-19/h3-5,9-10,14-15H,1-2,6-8,11-13H2,(H,25,26)(H,27,28)