3-[1-[3-(2,3-dihydro-1-benzofuran-5-yl)propylcarbamoyl]cyclohexyl]propanoic acid

Systemtic Name: 3-[1-[3-(2,3-dihydro-1-benzofuran-5-yl)propylcarbamoyl]cyclohexyl]propanoic acid Openeye Name: 3-[1-[3-(2,3-dihydrobenzofuran-5-yl)propylcarbamoyl]cyclohexyl]propanoic acid CAS Name: 3-[1-[[3-(2,3-dihydrobenzofuran-5-yl)propylamino]-oxomethyl]cyclohexyl]propanoic acid IUPAC Name: 3-[1-[3-(2,3-dihydro-1-benzofuran-5-yl)propylcarbamoyl]cyclohexyl]propanoic acid Traditional Name: 3-[1-(3-coumaran-5-ylpropylcarbamoyl)cyclohexyl]propionic acid Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCC(=O)O)C(=O)NCCCC2=CC3=C(C=C2)OCC3

Isomeric SMILES

C1CCC(CC1)(CCC(=O)O)C(=O)NCCCC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C21H29NO4/c23-19(24)8-12-21(10-2-1-3-11-21)20(25)22-13-4-5-16-6-7-18-17(15-16)9-14-26-18/h6-7,15H,1-5,8-14H2,(H,22,25)(H,23,24)