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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

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