O1-tert-butyl O4-[4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]carbonylphenyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]carbonylphenyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethoxy]carbonylphenyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[4-[[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]-oxomethyl]phenyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]carbonylphenyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[4-[2-keto-2-(4-methylpiperazino)ethoxy]carbonylphenyl] ester Formula: C25H35N3O7 MolecularWeight: 489.5613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C25H35N3O7/c1-25(2,3)35-24(32)28-11-9-19(10-12-28)23(31)34-20-7-5-18(6-8-20)22(30)33-17-21(29)27-15-13-26(4)14-16-27/h5-8,19H,9-17H2,1-4H3