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

Systemtic Name: 2-azanyl-5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 2-amino-5-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]benzoic acid CAS Name: 2-amino-5-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 2-amino-5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 2-amino-5-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]benzoic acid Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO3/c26-18-10-12-24(30-15-16-5-2-1-3-6-16)21(14-18)20-8-4-7-19(20)17-9-11-23(27)22(13-17)25(28)29/h1-3,5-6,9-14H,4,7-8,15,27H2,(H,28,29)