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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) (2S,3R)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C26H28ClNO6 MolecularWeight: 485.95662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)CC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=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/C26H28ClNO6/c1-4-9-18-12-23(29)33-21-14-22(20(27)13-19(18)21)34-25(30)24(16(3)5-2)28-26(31)32-15-17-10-7-6-8-11-17/h6-8,10-14,16,24H,4-5,9,15H2,1-3H3,(H,28,31)/t16-,24+/m1/s1