(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C24H24ClNO6 MolecularWeight: 457.90346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClNO6/c1-2-3-9-17-12-23(28)31-20-14-21(19(25)13-18(17)20)32-22(27)10-11-26-24(29)30-15-16-7-5-4-6-8-16/h4-8,12-14H,2-3,9-11,15H2,1H3,(H,26,29)