(6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-chromen-7-yl) (2S,3R)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C25H26ClNO6 MolecularWeight: 471.93004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)CC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H]([C@H](C)CC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26ClNO6/c1-4-15(3)23(27-25(30)31-14-16-9-7-6-8-10-16)24(29)33-21-13-20-18(12-19(21)26)17(5-2)11-22(28)32-20/h6-13,15,23H,4-5,14H2,1-3H3,(H,27,30)/t15-,23+/m1/s1