(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C23H22ClNO6 MolecularWeight: 443.87688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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