3-azanyl-5-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid

Systemtic Name: 3-azanyl-5-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 3-amino-5-[2-(2-benzyloxy-5-bromo-phenyl)cyclopenten-1-yl]benzoic acid CAS Name: 3-amino-5-[2-(5-bromo-2-phenylmethoxyphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 3-amino-5-[2-(5-bromo-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 3-amino-5-[2-(2-benzoxy-5-bromo-phenyl)cyclopenten-1-yl]benzoic acid Formula: C25H22BrNO3 MolecularWeight: 464.35108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC(=CC(=C4)N)C(=O)O

Isomeric SMILES

C1CC(=C(C1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC(=CC(=C4)N)C(=O)O

InChI

InChI=1S/C25H22BrNO3/c26-19-9-10-24(30-15-16-5-2-1-3-6-16)23(14-19)22-8-4-7-21(22)17-11-18(25(28)29)13-20(27)12-17/h1-3,5-6,9-14H,4,7-8,15,27H2,(H,28,29)