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

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C27H30ClNO6 MolecularWeight: 499.9832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H30ClNO6/c1-2-3-12-20-15-26(31)34-23-17-24(22(28)16-21(20)23)35-25(30)13-8-5-9-14-29-27(32)33-18-19-10-6-4-7-11-19/h4,6-7,10-11,15-17H,2-3,5,8-9,12-14,18H2,1H3,(H,29,32)