tert-butyl 2-[3-[2-(4-methylpiperazin-1-yl)ethanoyl-phenyl-amino]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-[2-(4-methylpiperazin-1-yl)ethanoyl-phenyl-amino]phenoxy]ethanoate Openeye Name: tert-butyl 2-[3-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)phenoxy]acetate CAS Name: 2-[3-(N-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]anilino)phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)phenoxy]acetate Traditional Name: 2-[3-(N-[2-(4-methylpiperazino)acetyl]anilino)phenoxy]acetic acid tert-butyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=CC(=C1)N(C2=CC=CC=C2)C(=O)CN3CCN(CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=CC(=C1)N(C2=CC=CC=C2)C(=O)CN3CCN(CC3)C

InChI

InChI=1S/C25H33N3O4/c1-25(2,3)32-24(30)19-31-22-12-8-11-21(17-22)28(20-9-6-5-7-10-20)23(29)18-27-15-13-26(4)14-16-27/h5-12,17H,13-16,18-19H2,1-4H3