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

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-[(4-methoxycarbonylphenyl)methyl]amino]benzoic acid Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methyl-[(4-methoxycarbonylphenyl)methyl]amino]benzoic acid CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-[(4-methoxycarbonylphenyl)methyl]amino]benzoic acid IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-[(4-methoxycarbonylphenyl)methyl]amino]benzoic acid Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)-(4-carbomethoxybenzyl)amino]benzoic acid Formula: C30H26BrNO5 MolecularWeight: 560.43514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C30H26BrNO5/c1-36-30(35)24-9-7-21(8-10-24)18-32(27-14-11-23(12-15-27)29(33)34)19-25-17-26(31)13-16-28(25)37-20-22-5-3-2-4-6-22/h2-17H,18-20H2,1H3,(H,33,34)