(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26ClNO6/c1-2-3-10-18-13-24(29)32-21-15-22(20(26)14-19(18)21)33-23(28)11-7-12-27-25(30)31-16-17-8-5-4-6-9-17/h4-6,8-9,13-15H,2-3,7,10-12,16H2,1H3,(H,27,30)