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

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-chromen-7-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20ClNO6/c1-2-15-10-21(26)29-18-12-19(17(23)11-16(15)18)30-20(25)8-9-24-22(27)28-13-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3,(H,24,27)