5-[[2-(4-methylpiperazin-1-yl)phenyl]methoxy]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[[2-(4-methylpiperazin-1-yl)phenyl]methoxy]-2-(propanoylamino)benzoic acid Openeye Name: 5-[[2-(4-methylpiperazin-1-yl)phenyl]methoxy]-2-(propanoylamino)benzoic acid CAS Name: 5-[[2-(4-methyl-1-piperazinyl)phenyl]methoxy]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[[2-(4-methylpiperazin-1-yl)phenyl]methoxy]-2-(propanoylamino)benzoic acid Traditional Name: 5-[2-(4-methylpiperazino)benzyl]oxy-2-propionamido-benzoic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)OCC2=CC=CC=C2N3CCN(CC3)C)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)OCC2=CC=CC=C2N3CCN(CC3)C)C(=O)O

InChI

InChI=1S/C22H27N3O4/c1-3-21(26)23-19-9-8-17(14-18(19)22(27)28)29-15-16-6-4-5-7-20(16)25-12-10-24(2)11-13-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)(H,27,28)