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

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-butyl-7-methyl-2-oxo-chromen-5-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid (4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-butyl-7-methyl-2-oxochromen-5-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO6/c1-3-4-11-20-16-24(29)33-22-15-18(2)14-21(25(20)22)32-23(28)12-8-13-27-26(30)31-17-19-9-6-5-7-10-19/h5-7,9-10,14-16H,3-4,8,11-13,17H2,1-2H3,(H,27,30)