[3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3,6-dichloro-4-methyl-2-oxo-chromen-7-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid (3,6-dichloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,6-dichloro-4-methyl-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (3,6-dichloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C22H19Cl2NO6 MolecularWeight: 464.29536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2NO6/c1-13-15-10-16(23)18(11-17(15)31-21(27)20(13)24)30-19(26)8-5-9-25-22(28)29-12-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,25,28)