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

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(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) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C24H24ClNO6 MolecularWeight: 457.90346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClNO6/c1-13(2)21(26-24(29)30-12-16-8-6-5-7-9-16)23(28)32-20-11-19-17(10-18(20)25)14(3)15(4)22(27)31-19/h5-11,13,21H,12H2,1-4H3,(H,26,29)