tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-9-oxidanylidene-xanthen-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-9-oxidanylidene-xanthen-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(4-tert-butoxycarbonylpiperazin-1-yl)-9-oxo-xanthen-3-yl]piperazine-1-carboxylate CAS Name: 4-[6-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-9-oxo-3-xanthenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-9-oxoxanthen-3-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-tert-butoxycarbonylpiperazino)-9-keto-xanthen-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C31H40N4O6 MolecularWeight: 564.6725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)N5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)N5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H40N4O6/c1-30(2,3)40-28(37)34-15-11-32(12-16-34)21-7-9-23-25(19-21)39-26-20-22(8-10-24(26)27(23)36)33-13-17-35(18-14-33)29(38)41-31(4,5)6/h7-10,19-20H,11-18H2,1-6H3