3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid CAS Name: 3-ethyl-4-[(4-methyl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 3-ethyl-4-[(4-methylpiperazino)methyl]benzoic acid Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)O)CN2CCN(CC2)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)O)CN2CCN(CC2)C

InChI

InChI=1S/C15H22N2O2/c1-3-12-10-13(15(18)19)4-5-14(12)11-17-8-6-16(2)7-9-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19)