(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (6-chloro-2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C25H26ClNO6 MolecularWeight: 471.93004

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClNO6/c1-16-17(2)24(29)33-21-14-22(20(26)13-19(16)21)32-23(28)11-7-4-8-12-27-25(30)31-15-18-9-5-3-6-10-18/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,27,30)