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

Systemtic Name: (8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (8-methyl-2-oxo-4-propyl-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic acid (8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (8-methyl-2-oxo-4-propylchromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (2-keto-8-methyl-4-propyl-chromen-7-yl) ester Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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