2-bromanyl-6-methoxy-4-[[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]phenol; ethanedioic acid

Systemtic Name: 2-bromanyl-6-methoxy-4-[[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]phenol; ethanedioic acid Openeye Name: 2-bromo-6-methoxy-4-[[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]phenol; oxalic acid CAS Name: 2-bromo-6-methoxy-4-[[[4-(1-pyrrolidinylmethyl)phenyl]methylamino]methyl]phenol; oxalic acid IUPAC Name: 2-bromo-6-methoxy-4-[[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]phenol; oxalic acid Traditional Name: 2-bromo-6-methoxy-4-[[[4-(pyrrolidinomethyl)benzyl]amino]methyl]phenol; oxalic acid Formula: C22H27BrN2O6 MolecularWeight: 495.36358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CC=C(C=C2)CN3CCCC3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CC=C(C=C2)CN3CCCC3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O2.C2H2O4/c1-25-19-11-17(10-18(21)20(19)24)13-22-12-15-4-6-16(7-5-15)14-23-8-2-3-9-23;3-1(4)2(5)6/h4-7,10-11,22,24H,2-3,8-9,12-14H2,1H3;(H,3,4)(H,5,6)