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

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-chromen-7-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C23H22ClNO6 MolecularWeight: 443.87688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO6/c1-2-16-11-22(27)30-19-13-20(18(24)12-17(16)19)31-21(26)9-6-10-25-23(28)29-14-15-7-4-3-5-8-15/h3-5,7-8,11-13H,2,6,9-10,14H2,1H3,(H,25,28)