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

Systemtic Name: (6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-4-methyl-2-oxo-chromen-7-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid (6-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-methyl-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20ClNO6/c1-14-10-21(26)29-18-12-19(17(23)11-16(14)18)30-20(25)8-5-9-24-22(27)28-13-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,24,27)