(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3,4,8-trimethyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4,8-trimethyl-2-oxochromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (2-keto-3,4,8-trimethyl-chromen-7-yl) ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)C

InChI

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