(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (1-hydroxy-5-methyl-9-oxo-xanthen-3-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid (1-hydroxy-5-methyl-9-oxo-3-xanthenyl) ester IUPAC Name: (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (1-hydroxy-9-keto-5-methyl-xanthen-3-yl) ester Formula: C25H21NO7 MolecularWeight: 447.43674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)CCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OC(=O)CCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO7/c1-15-6-5-9-18-23(29)22-19(27)12-17(13-20(22)33-24(15)18)32-21(28)10-11-26-25(30)31-14-16-7-3-2-4-8-16/h2-9,12-13,27H,10-11,14H2,1H3,(H,26,30)