(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C25H26ClNO6 MolecularWeight: 471.93004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClNO6/c1-4-8-17-11-22(28)32-20-13-21(19(26)12-18(17)20)33-24(29)23(15(2)3)27-25(30)31-14-16-9-6-5-7-10-16/h5-7,9-13,15,23H,4,8,14H2,1-3H3,(H,27,30)