4-[[(5-bromanyl-2-phenylmethoxy-phenyl)-ethyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(5-bromanyl-2-phenylmethoxy-phenyl)-ethyl-amino]methyl]benzoic acid Openeye Name: 4-[(2-benzyloxy-5-bromo-N-ethyl-anilino)methyl]benzoic acid CAS Name: 4-[(5-bromo-N-ethyl-2-phenylmethoxyanilino)methyl]benzoic acid IUPAC Name: 4-[(5-bromo-N-ethyl-2-phenylmethoxyanilino)methyl]benzoic acid Traditional Name: 4-[(2-benzoxy-5-bromo-N-ethyl-anilino)methyl]benzoic acid Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(=O)O)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(=O)O)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22BrNO3/c1-2-25(15-17-8-10-19(11-9-17)23(26)27)21-14-20(24)12-13-22(21)28-16-18-6-4-3-5-7-18/h3-14H,2,15-16H2,1H3,(H,26,27)