(4-methyl-2-oxidanylidene-3-propyl-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (4-methyl-2-oxidanylidene-3-propyl-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (4-methyl-2-oxo-3-propyl-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic acid (4-methyl-2-oxo-3-propyl-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxo-3-propylchromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (2-keto-4-methyl-3-propyl-chromen-7-yl) ester Formula: C27H31NO6 MolecularWeight: 465.53814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3)OC1=O)C

InChI

InChI=1S/C27H31NO6/c1-3-10-23-19(2)22-15-14-21(17-24(22)34-26(23)30)33-25(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)