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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClNO6/c1-5-14(2)22(27-25(30)31-13-17-9-7-6-8-10-17)24(29)33-21-12-20-18(11-19(21)26)15(3)16(4)23(28)32-20/h6-12,14,22H,5,13H2,1-4H3,(H,27,30)/t14-,22+/m1/s1