tert-butyl 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O4/c1-16-6-5-7-17(14-16)26-13-8-21-18(24)15-22-9-11-23(12-10-22)19(25)27-20(2,3)4/h5-7,14H,8-13,15H2,1-4H3,(H,21,24)