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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OCC3=CC=CC=C3)C

InChI

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