methyl 9,10-bis[[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]methyl]anthracene-2-carboxylate

Systemtic Name: methyl 9,10-bis[[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]methyl]anthracene-2-carboxylate Openeye Name: methyl 9,10-bis[[6-(tert-butoxycarbonylamino)hexylamino]methyl]anthracene-2-carboxylate CAS Name: 9,10-bis[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexylamino]methyl]-2-anthracenecarboxylic acid methyl ester IUPAC Name: methyl 9,10-bis[[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]methyl]anthracene-2-carboxylate Traditional Name: 9,10-bis[[6-(tert-butoxycarbonylamino)hexylamino]methyl]anthracene-2-carboxylic acid methyl ester Formula: C40H60N4O6 MolecularWeight: 692.9276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCNCC1=C2C=CC(=CC2=C(C3=CC=CC=C31)CNCCCCCCNC(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCNCC1=C2C=CC(=CC2=C(C3=CC=CC=C31)CNCCCCCCNC(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C40H60N4O6/c1-39(2,3)49-37(46)43-24-16-10-8-14-22-41-27-34-30-18-12-13-19-31(30)35(33-26-29(36(45)48-7)20-21-32(33)34)28-42-23-15-9-11-17-25-44-38(47)50-40(4,5)6/h12-13,18-21,26,41-42H,8-11,14-17,22-25,27-28H2,1-7H3,(H,43,46)(H,44,47)