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

Systemtic Name: (3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3-chloro-4-methyl-2-oxo-chromen-7-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid (3-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-chloro-4-methyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (3-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=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)Cl

InChI

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