(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (4-butyl-8-methyl-2-oxo-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic acid (4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-8-methyl-2-oxochromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (4-butyl-2-keto-8-methyl-chromen-7-yl) ester Formula: C28H33NO6 MolecularWeight: 479.56472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H33NO6/c1-3-4-13-22-18-26(31)35-27-20(2)24(16-15-23(22)27)34-25(30)14-9-6-10-17-29-28(32)33-19-21-11-7-5-8-12-21/h5,7-8,11-12,15-16,18H,3-4,6,9-10,13-14,17,19H2,1-2H3,(H,29,32)