(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3,4,7-trimethyl-2-oxo-chromen-5-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (3,4,7-trimethyl-2-oxochromen-5-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (2-keto-3,4,7-trimethyl-chromen-5-yl) ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6/c1-14(2)22(26-25(29)30-13-18-9-7-6-8-10-18)24(28)32-20-12-15(3)11-19-21(20)16(4)17(5)23(27)31-19/h6-12,14,22H,13H2,1-5H3,(H,26,29)