1-[7-fluoranyl-1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]ethyl 4-[(4-methoxyphenyl)methoxycarbonylamino]cyclohexane-1-carboxylate

Systemtic Name: 1-[7-fluoranyl-1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]ethyl 4-[(4-methoxyphenyl)methoxycarbonylamino]cyclohexane-1-carboxylate Openeye Name: 1-(7-fluoro-1,4-dihydroxy-9,10-dioxo-2-anthryl)ethyl 4-[(4-methoxyphenyl)methoxycarbonylamino]cyclohexanecarboxylate CAS Name: 4-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-cyclohexanecarboxylic acid 1-(7-fluoro-1,4-dihydroxy-9,10-dioxo-2-anthracenyl)ethyl ester IUPAC Name: 1-(7-fluoro-1,4-dihydroxy-9,10-dioxoanthracen-2-yl)ethyl 4-[(4-methoxyphenyl)methoxycarbonylamino]cyclohexane-1-carboxylate Traditional Name: 4-(p-anisyloxycarbonylamino)cyclohexanecarboxylic acid 1-(7-fluoro-1,4-dihydroxy-9,10-diketo-2-anthryl)ethyl ester Formula: C32H30FNO9 MolecularWeight: 591.580303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C=CC(=C3)F)O)OC(=O)C4CCC(CC4)NC(=O)OCC5=CC=C(C=C5)OC

Isomeric SMILES

CC(C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C=CC(=C3)F)O)OC(=O)C4CCC(CC4)NC(=O)OCC5=CC=C(C=C5)OC

InChI

InChI=1S/C32H30FNO9/c1-16(23-14-25(35)26-27(29(23)37)30(38)24-13-19(33)7-12-22(24)28(26)36)43-31(39)18-5-8-20(9-6-18)34-32(40)42-15-17-3-10-21(41-2)11-4-17/h3-4,7,10-14,16,18,20,35,37H,5-6,8-9,15H2,1-2H3,(H,34,40)