(6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) (2R)-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) (2R)-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-chromen-7-yl) (2R)-2-(benzyloxycarbonylamino)hexanoate CAS Name: (2R)-2-(phenylmethoxycarbonylamino)hexanoic acid (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) (2R)-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)hexanoic acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C25H26ClNO6 MolecularWeight: 471.93004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)CC)Cl)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC[C@H](C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)CC)Cl)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26ClNO6/c1-3-5-11-20(27-25(30)31-15-16-9-7-6-8-10-16)24(29)33-22-14-21-18(13-19(22)26)17(4-2)12-23(28)32-21/h6-10,12-14,20H,3-5,11,15H2,1-2H3,(H,27,30)/t20-/m1/s1