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

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6/c1-5-18-12-19-16(4)11-22(27)31-21(19)13-20(18)32-24(28)23(15(2)3)26-25(29)30-14-17-9-7-6-8-10-17/h6-13,15,23H,5,14H2,1-4H3,(H,26,29)/t23-/m0/s1