2-[1-[2-oxidanylidene-2-[(3-oxidanylidene-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[2-oxidanylidene-2-[(3-oxidanylidene-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[2-oxo-2-[(3-oxo-1H-isobenzofuran-5-yl)amino]ethyl]cyclohexyl]acetic acid CAS Name: 2-[1-[2-oxo-2-[(3-oxo-1H-isobenzofuran-5-yl)amino]ethyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[2-keto-2-[(3-ketophthalan-5-yl)amino]ethyl]cyclohexyl]acetic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=CC3=C(COC3=O)C=C2)CC(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=CC3=C(COC3=O)C=C2)CC(=O)O

InChI

InChI=1S/C18H21NO5/c20-15(9-18(10-16(21)22)6-2-1-3-7-18)19-13-5-4-12-11-24-17(23)14(12)8-13/h4-5,8H,1-3,6-7,9-11H2,(H,19,20)(H,21,22)