4-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)-methylsulfonyl-amino]butanoic acid

Systemtic Name: 4-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)-methylsulfonyl-amino]butanoic acid Openeye Name: 4-[(6-benzyloxy-2,2-dimethyl-chroman-4-yl)-methylsulfonyl-amino]butanoic acid CAS Name: 4-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-yl)-methylsulfonylamino]butanoic acid IUPAC Name: 4-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)-methylsulfonylamino]butanoic acid Traditional Name: 4-[(6-benzoxy-2,2-dimethyl-chroman-4-yl)-mesyl-amino]butyric acid Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)N(CCCC(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)N(CCCC(=O)O)S(=O)(=O)C)C

InChI

InChI=1S/C23H29NO6S/c1-23(2)15-20(24(31(3,27)28)13-7-10-22(25)26)19-14-18(11-12-21(19)30-23)29-16-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,20H,7,10,13,15-16H2,1-3H3,(H,25,26)