ethyl 2-[4-[3-(3-tert-butyl-4-oxidanyl-phenyl)-2-(methylamino)propanoyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[3-(3-tert-butyl-4-oxidanyl-phenyl)-2-(methylamino)propanoyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[3-(3-tert-butyl-4-hydroxy-phenyl)-2-(methylamino)propanoyl]piperazin-1-yl]acetate CAS Name: 2-[4-[3-(3-tert-butyl-4-hydroxyphenyl)-2-(methylamino)-1-oxopropyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(3-tert-butyl-4-hydroxyphenyl)-2-(methylamino)propanoyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[3-(3-tert-butyl-4-hydroxy-phenyl)-2-(methylamino)propanoyl]piperazino]acetic acid ethyl ester Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)O)C(C)(C)C)NC

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)O)C(C)(C)C)NC

InChI

InChI=1S/C22H35N3O4/c1-6-29-20(27)15-24-9-11-25(12-10-24)21(28)18(23-5)14-16-7-8-19(26)17(13-16)22(2,3)4/h7-8,13,18,23,26H,6,9-12,14-15H2,1-5H3