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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C26H28ClNO6 MolecularWeight: 485.95662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28ClNO6/c1-2-9-19-14-25(30)33-22-16-23(21(27)15-20(19)22)34-24(29)12-7-4-8-13-28-26(31)32-17-18-10-5-3-6-11-18/h3,5-6,10-11,14-16H,2,4,7-9,12-13,17H2,1H3,(H,28,31)