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

Systemtic Name: 3-(butanoylamino)-5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)phenyl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)phenyl]-5-(butanoylamino)benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]-5-(1-oxobutylamino)benzoic acid IUPAC Name: 3-(butanoylamino)-5-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)phenyl]-5-butyramido-benzoic acid Formula: C30H26ClNO4 MolecularWeight: 499.98474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26ClNO4/c1-2-8-29(33)32-24-16-21(15-22(17-24)30(34)35)25-11-6-7-12-26(25)27-18-23(31)13-14-28(27)36-19-20-9-4-3-5-10-20/h3-7,9-18H,2,8,19H2,1H3,(H,32,33)(H,34,35)