[3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: [3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (3,6-dichloro-4-methyl-2-oxo-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic acid (3,6-dichloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,6-dichloro-4-methyl-2-oxochromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (3,6-dichloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C24H23Cl2NO6 MolecularWeight: 492.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H23Cl2NO6/c1-15-17-12-18(25)20(13-19(17)33-23(29)22(15)26)32-21(28)10-6-3-7-11-27-24(30)31-14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13H,3,6-7,10-11,14H2,1H3,(H,27,30)