4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 4-[(4-isopropylpiperazin-1-yl)methyl]benzoic acid CAS Name: 4-[(4-propan-2-yl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 4-[(4-isopropylpiperazino)methyl]benzoic acid Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H22N2O2/c1-12(2)17-9-7-16(8-10-17)11-13-3-5-14(6-4-13)15(18)19/h3-6,12H,7-11H2,1-2H3,(H,18,19)