3-acetamido-5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenta-1,3-dien-1-yl]benzoic acid

Systemtic Name: 3-acetamido-5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenta-1,3-dien-1-yl]benzoic acid Openeye Name: 3-acetamido-5-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenta-1,3-dien-1-yl]benzoic acid CAS Name: 3-acetamido-5-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopenta-1,3-dienyl]benzoic acid IUPAC Name: 3-acetamido-5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenta-1,3-dien-1-yl]benzoic acid Traditional Name: 3-acetamido-5-[2-(2-benzoxy-5-chloro-phenyl)cyclopenta-1,3-dien-1-yl]benzoic acid Formula: C27H22ClNO4 MolecularWeight: 459.92088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(C=CC2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(C=CC2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C27H22ClNO4/c1-17(30)29-22-13-19(12-20(14-22)27(31)32)23-8-5-9-24(23)25-15-21(28)10-11-26(25)33-16-18-6-3-2-4-7-18/h2-7,9-15H,8,16H2,1H3,(H,29,30)(H,31,32)