(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-butyl-7-methyl-2-oxo-chromen-5-yl) (2S)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)propanoic acid (4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-butyl-7-methyl-2-oxochromen-5-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)propionic acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6/c1-4-5-11-19-14-22(27)31-20-12-16(2)13-21(23(19)20)32-24(28)17(3)26-25(29)30-15-18-9-7-6-8-10-18/h6-10,12-14,17H,4-5,11,15H2,1-3H3,(H,26,29)/t17-/m0/s1