2-[3-[2-(4-methylpiperazin-1-yl)ethanoyl-phenyl-amino]phenyl]ethanoic acid dihydrochloride

Systemtic Name: 2-[3-[2-(4-methylpiperazin-1-yl)ethanoyl-phenyl-amino]phenyl]ethanoic acid dihydrochloride Openeye Name: 2-[3-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)phenyl]acetic acid dihydrochloride CAS Name: 2-[3-(N-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]anilino)phenyl]acetic acid dihydrochloride IUPAC Name: 2-[3-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)phenyl]acetic acid dihydrochloride Traditional Name: 2-[3-(N-[2-(4-methylpiperazino)acetyl]anilino)phenyl]acetic acid dihydrochloride Formula: C21H27Cl2N3O3 MolecularWeight: 440.36338

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N(C2=CC=CC=C2)C3=CC=CC(=C3)CC(=O)O.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC(=O)N(C2=CC=CC=C2)C3=CC=CC(=C3)CC(=O)O.Cl.Cl

InChI

InChI=1S/C21H25N3O3.2ClH/c1-22-10-12-23(13-11-22)16-20(25)24(18-7-3-2-4-8-18)19-9-5-6-17(14-19)15-21(26)27;;/h2-9,14H,10-13,15-16H2,1H3,(H,26,27);2*1H