3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)phenyl]-5-(3-methylbutanoylamino)benzoic acid

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)phenyl]-5-(3-methylbutanoylamino)benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)phenyl]-5-(3-methylbutanoylamino)benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]-5-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]-5-(3-methylbutanoylamino)benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)phenyl]-5-(isovalerylamino)benzoic acid Formula: C31H28ClNO4 MolecularWeight: 514.01132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=CC=CC=C2C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=CC=CC=C2C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C31H28ClNO4/c1-20(2)14-30(34)33-25-16-22(15-23(17-25)31(35)36)26-10-6-7-11-27(26)28-18-24(32)12-13-29(28)37-19-21-8-4-3-5-9-21/h3-13,15-18,20H,14,19H2,1-2H3,(H,33,34)(H,35,36)