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

Systemtic Name: 4-bromanyl-2-[(4-cycloheptylpiperazin-1-yl)methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[(4-cycloheptylpiperazin-1-yl)methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[(4-cycloheptyl-1-piperazinyl)methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[(4-cycloheptylpiperazin-1-yl)methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[(4-cycloheptylpiperazino)methyl]phenol; oxalic acid Formula: C20H29BrN2O5 MolecularWeight: 457.35866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27BrN2O.C2H2O4/c19-16-7-8-18(22)15(13-16)14-20-9-11-21(12-10-20)17-5-3-1-2-4-6-17;3-1(4)2(5)6/h7-8,13,17,22H,1-6,9-12,14H2;(H,3,4)(H,5,6)