4-bromanyl-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[(4-cyclopentyl-1-piperazinyl)methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[(4-cyclopentylpiperazino)methyl]phenol; oxalic acid Formula: C18H25BrN2O5 MolecularWeight: 429.3055

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23BrN2O.C2H2O4/c17-14-5-6-16(20)13(11-14)12-18-7-9-19(10-8-18)15-3-1-2-4-15;3-1(4)2(5)6/h5-6,11,15,20H,1-4,7-10,12H2;(H,3,4)(H,5,6)