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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C23H22ClNO6 MolecularWeight: 443.87688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO6/c1-2-6-16-11-22(27)30-19-13-20(18(24)12-17(16)19)31-21(26)9-10-25-23(28)29-14-15-7-4-3-5-8-15/h3-5,7-8,11-13H,2,6,9-10,14H2,1H3,(H,25,28)