(3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H22ClNO6/c1-13(2)20(25-23(28)29-12-15-7-5-4-6-8-15)22(27)30-16-9-10-17-14(3)19(24)21(26)31-18(17)11-16/h4-11,13,20H,12H2,1-3H3,(H,25,28)