4-[[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]amino]methyl]benzoic acid Formula: C24H24BrNO4 MolecularWeight: 470.35566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)CNCC3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)CNCC3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C24H24BrNO4/c1-16-3-5-18(6-4-16)15-30-23-21(25)11-19(12-22(23)29-2)14-26-13-17-7-9-20(10-8-17)24(27)28/h3-12,26H,13-15H2,1-2H3,(H,27,28)