[3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3,6-dichloro-4-methyl-2-oxo-chromen-7-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid (3,6-dichloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,6-dichloro-4-methyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (3,6-dichloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C21H17Cl2NO6 MolecularWeight: 450.26878

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2NO6/c1-12-14-9-15(22)17(10-16(14)30-20(26)19(12)23)29-18(25)7-8-24-21(27)28-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,24,27)