1-[1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]ethyl 4-azanylcyclohexane-1-carboxylate

Systemtic Name: 1-[1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]ethyl 4-azanylcyclohexane-1-carboxylate Openeye Name: 1-(1,4-dihydroxy-9,10-dioxo-2-anthryl)ethyl 4-aminocyclohexanecarboxylate CAS Name: 4-amino-1-cyclohexanecarboxylic acid 1-(1,4-dihydroxy-9,10-dioxo-2-anthracenyl)ethyl ester IUPAC Name: 1-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)ethyl 4-aminocyclohexane-1-carboxylate Traditional Name: 4-aminocyclohexanecarboxylic acid 1-(1,4-dihydroxy-9,10-diketo-2-anthryl)ethyl ester Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)OC(=O)C4CCC(CC4)N

Isomeric SMILES

CC(C1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)OC(=O)C4CCC(CC4)N

InChI

InChI=1S/C23H23NO6/c1-11(30-23(29)12-6-8-13(24)9-7-12)16-10-17(25)18-19(22(16)28)21(27)15-5-3-2-4-14(15)20(18)26/h2-5,10-13,25,28H,6-9,24H2,1H3