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

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)butanoate CAS Name: 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) 2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(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:

CCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)C)C)Cl)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)C)C)Cl)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22ClNO6/c1-4-18(25-23(28)29-12-15-8-6-5-7-9-15)22(27)31-20-11-19-16(10-17(20)24)13(2)14(3)21(26)30-19/h5-11,18H,4,12H2,1-3H3,(H,25,28)