2-ethoxy-3-[4-[(6-methylsulfonyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[(6-methylsulfonyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[(6-methylsulfonyloxytetralin-2-yl)methylamino]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[(6-methylsulfonyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[(6-methylsulfonyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[(6-methylsulfonyloxytetralin-2-yl)methylamino]phenyl]propionic acid Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NCC2CCC3=C(C2)C=CC(=C3)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)NCC2CCC3=C(C2)C=CC(=C3)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C23H29NO6S/c1-3-29-22(23(25)26)13-16-5-9-20(10-6-16)24-15-17-4-7-19-14-21(30-31(2,27)28)11-8-18(19)12-17/h5-6,8-11,14,17,22,24H,3-4,7,12-13,15H2,1-2H3,(H,25,26)