[(2R)-12-acetyloxy-2-ethanoyl-5-[4-[2,2,2-tris(fluoranyl)ethanoylamino]butoxymethyl]-3,4-dihydro-1H-tetracen-2-yl] (1S,5R,6R)-3-ethyl-4-oxidanylidene-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate

Systemtic Name: [(2R)-12-acetyloxy-2-ethanoyl-5-[4-[2,2,2-tris(fluoranyl)ethanoylamino]butoxymethyl]-3,4-dihydro-1H-tetracen-2-yl] (1S,5R,6R)-3-ethyl-4-oxidanylidene-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate Openeye Name: [(2R)-12-acetoxy-2-acetyl-5-[4-[(2,2,2-trifluoroacetyl)amino]butoxymethyl]-3,4-dihydro-1H-tetracen-2-yl] (1S,5R,6R)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate CAS Name: (1S,5R,6R)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid [(2R)-2-acetyl-12-acetyloxy-5-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]butoxymethyl]-3,4-dihydro-1H-tetracen-2-yl] ester IUPAC Name: [(2R)-2-acetyl-12-acetyloxy-5-[4-[(2,2,2-trifluoroacetyl)amino]butoxymethyl]-3,4-dihydro-1H-tetracen-2-yl] (1S,5R,6R)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate Traditional Name: (1S,5R,6R)-3-ethyl-4-keto-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid [(2R)-12-acetoxy-2-acetyl-5-[4-[(2,2,2-trifluoroacetyl)amino]butoxymethyl]-3,4-dihydro-1H-tetracen-2-yl] ester Formula: C37H39F3N2O10 MolecularWeight: 728.70817

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2OC(C1=O)C(O2)C(=O)OC3(CCC4=C(C5=CC6=CC=CC=C6C=C5C(=C4C3)OC(=O)C)COCCCCNC(=O)C(F)(F)F)C(=O)C

Isomeric SMILES

CCN1C[C@H]2O[C@@H](C1=O)[C@@H](O2)C(=O)O[C@@]3(CCC4=C(C5=CC6=CC=CC=C6C=C5C(=C4C3)OC(=O)C)COCCCCNC(=O)C(F)(F)F)C(=O)C

InChI

InChI=1S/C37H39F3N2O10/c1-4-42-18-29-50-31(33(42)45)32(51-29)34(46)52-36(20(2)43)12-11-24-27(17-36)30(49-21(3)44)26-16-23-10-6-5-9-22(23)15-25(26)28(24)19-48-14-8-7-13-41-35(47)37(38,39)40/h5-6,9-10,15-16,29,31-32H,4,7-8,11-14,17-19H2,1-3H3,(H,41,47)/t29-,31+,32+,36+/m0/s1