2-[2-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonyl-amino]ethoxy]ethanoic acid

Systemtic Name: 2-[2-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonyl-amino]ethoxy]ethanoic acid Openeye Name: 2-[2-[(6-butoxy-2,2-dimethyl-chroman-4-yl)-methylsulfonyl-amino]ethoxy]acetic acid CAS Name: 2-[2-[(6-butoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-methylsulfonylamino]ethoxy]acetic acid IUPAC Name: 2-[2-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonylamino]ethoxy]acetic acid Traditional Name: 2-[2-[(6-butoxy-2,2-dimethyl-chroman-4-yl)-mesyl-amino]ethoxy]acetic acid Formula: C20H31NO7S MolecularWeight: 429.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(CC2N(CCOCC(=O)O)S(=O)(=O)C)(C)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(CC2N(CCOCC(=O)O)S(=O)(=O)C)(C)C

InChI

InChI=1S/C20H31NO7S/c1-5-6-10-27-15-7-8-18-16(12-15)17(13-20(2,3)28-18)21(29(4,24)25)9-11-26-14-19(22)23/h7-8,12,17H,5-6,9-11,13-14H2,1-4H3,(H,22,23)