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

Systemtic Name: 5-[2-(4-methylpiperazin-1-yl)phenoxy]-2-(propanoylamino)benzoic acid Openeye Name: 5-[2-(4-methylpiperazin-1-yl)phenoxy]-2-(propanoylamino)benzoic acid CAS Name: 5-[2-(4-methyl-1-piperazinyl)phenoxy]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[2-(4-methylpiperazin-1-yl)phenoxy]-2-(propanoylamino)benzoic acid Traditional Name: 5-[2-(4-methylpiperazino)phenoxy]-2-propionamido-benzoic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)OC2=CC=CC=C2N3CCN(CC3)C)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)OC2=CC=CC=C2N3CCN(CC3)C)C(=O)O

InChI

InChI=1S/C21H25N3O4/c1-3-20(25)22-17-9-8-15(14-16(17)21(26)27)28-19-7-5-4-6-18(19)24-12-10-23(2)11-13-24/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)(H,26,27)