O1-tert-butyl O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H30N2O7/c1-22(2,3)31-21(27)24-9-7-15(8-10-24)20(26)30-14-19(25)23-16-5-6-17-18(13-16)29-12-4-11-28-17/h5-6,13,15H,4,7-12,14H2,1-3H3,(H,23,25)