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

Systemtic Name: (6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-4-methyl-2-oxo-chromen-7-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid (6-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-methyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO6/c1-13-9-20(25)28-17-11-18(16(22)10-15(13)17)29-19(24)7-8-23-21(26)27-12-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3,(H,23,26)