4-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]phenyl]benzoic acid

Systemtic Name: 4-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]phenyl]benzoic acid Openeye Name: 4-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]phenyl]benzoic acid CAS Name: 4-[2-methoxy-4-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]phenyl]benzoic acid IUPAC Name: 4-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]phenyl]benzoic acid Traditional Name: 4-[4-[3-keto-3-(4-methylpiperazino)propyl]-2-methoxy-phenyl]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H26N2O4/c1-23-11-13-24(14-12-23)21(25)10-4-16-3-9-19(20(15-16)28-2)17-5-7-18(8-6-17)22(26)27/h3,5-9,15H,4,10-14H2,1-2H3,(H,26,27)