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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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