4-[1-[(4-bromanyl-2-phenylmethoxy-phenyl)-methyl-amino]ethyl]benzoic acid

Systemtic Name: 4-[1-[(4-bromanyl-2-phenylmethoxy-phenyl)-methyl-amino]ethyl]benzoic acid Openeye Name: 4-[1-(2-benzyloxy-4-bromo-N-methyl-anilino)ethyl]benzoic acid CAS Name: 4-[1-(4-bromo-N-methyl-2-phenylmethoxyanilino)ethyl]benzoic acid IUPAC Name: 4-[1-(4-bromo-N-methyl-2-phenylmethoxyanilino)ethyl]benzoic acid Traditional Name: 4-[1-(2-benzoxy-4-bromo-N-methyl-anilino)ethyl]benzoic acid Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)N(C)C2=C(C=C(C=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)N(C)C2=C(C=C(C=C2)Br)OCC3=CC=CC=C3

InChI

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