(4-butyl-2-oxidanylidene-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (4-butyl-2-oxidanylidene-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (4-butyl-2-oxo-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic acid (4-butyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-2-oxochromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (4-butyl-2-keto-chromen-7-yl) ester Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6/c1-2-3-12-21-17-26(30)34-24-18-22(14-15-23(21)24)33-25(29)13-8-5-9-16-28-27(31)32-19-20-10-6-4-7-11-20/h4,6-7,10-11,14-15,17-18H,2-3,5,8-9,12-13,16,19H2,1H3,(H,28,31)