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

Systemtic Name: (8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (8-methyl-2-oxo-4-propyl-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (8-methyl-2-oxo-4-propylchromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (2-keto-8-methyl-4-propyl-chromen-7-yl) ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO6/c1-5-9-19-14-22(28)33-24-17(4)21(13-12-20(19)24)32-25(29)23(16(2)3)27-26(30)31-15-18-10-7-6-8-11-18/h6-8,10-14,16,23H,5,9,15H2,1-4H3,(H,27,30)