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

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C24H25NO6 MolecularWeight: 423.4584

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6/c1-14(2)21(25-24(28)29-13-17-8-6-5-7-9-17)23(27)30-18-10-11-19-15(3)16(4)22(26)31-20(19)12-18/h5-12,14,21H,13H2,1-4H3,(H,25,28)