(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-butyl-7-methyl-2-oxo-chromen-5-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-butyl-7-methyl-2-oxochromen-5-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6/c1-5-6-12-20-15-23(29)33-21-13-18(4)14-22(24(20)21)34-26(30)25(17(2)3)28-27(31)32-16-19-10-8-7-9-11-19/h7-11,13-15,17,25H,5-6,12,16H2,1-4H3,(H,28,31)