(9-oxidanylidene-5,6,7,8-tetrahydroxanthen-2-yl) 2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: (9-oxidanylidene-5,6,7,8-tetrahydroxanthen-2-yl) 2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: (9-oxo-5,6,7,8-tetrahydroxanthen-2-yl) 2-(benzyloxycarbonylamino)acetate CAS Name: 2-(phenylmethoxycarbonylamino)acetic acid (9-oxo-5,6,7,8-tetrahydroxanthen-2-yl) ester IUPAC Name: (9-oxo-5,6,7,8-tetrahydroxanthen-2-yl) 2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(benzyloxycarbonylamino)acetic acid (9-keto-5,6,7,8-tetrahydroxanthen-2-yl) ester Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)C3=C(O2)C=CC(=C3)OC(=O)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=O)C3=C(O2)C=CC(=C3)OC(=O)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21NO6/c25-21(13-24-23(27)28-14-15-6-2-1-3-7-15)29-16-10-11-20-18(12-16)22(26)17-8-4-5-9-19(17)30-20/h1-3,6-7,10-12H,4-5,8-9,13-14H2,(H,24,27)