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

Systemtic Name: ethyl 2-ethoxy-3-[4-[(6-methylsulfonyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]phenyl]propanoate Openeye Name: ethyl 2-ethoxy-3-[4-[(6-methylsulfonyloxytetralin-2-yl)methylamino]phenyl]propanoate CAS Name: 2-ethoxy-3-[4-[(6-methylsulfonyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-ethoxy-3-[4-[(6-methylsulfonyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]phenyl]propanoate Traditional Name: 2-ethoxy-3-[4-[(6-methylsulfonyloxytetralin-2-yl)methylamino]phenyl]propionic acid ethyl ester Formula: C25H33NO6S MolecularWeight: 475.59762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO6S/c1-4-30-24(25(27)31-5-2)15-18-7-11-22(12-8-18)26-17-19-6-9-21-16-23(32-33(3,28)29)13-10-20(21)14-19/h7-8,10-13,16,19,24,26H,4-6,9,14-15,17H2,1-3H3