4-[(2-chloranyl-5-phenyl-phenyl)-(3,5-dimethoxyphenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-phenyl-phenyl)-(3,5-dimethoxyphenyl)carbonyl-amino]butanoic acid Openeye Name: 4-(2-chloro-N-(3,5-dimethoxybenzoyl)-5-phenyl-anilino)butanoic acid CAS Name: 4-(2-chloro-N-[(3,5-dimethoxyphenyl)-oxomethyl]-5-phenylanilino)butanoic acid IUPAC Name: 4-(2-chloro-N-(3,5-dimethoxybenzoyl)-5-phenylanilino)butanoic acid Traditional Name: 4-(2-chloro-N-(3,5-dimethoxybenzoyl)-5-phenyl-anilino)butyric acid Formula: C25H24ClNO5 MolecularWeight: 453.91476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N(CCCC(=O)O)C2=C(C=CC(=C2)C3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N(CCCC(=O)O)C2=C(C=CC(=C2)C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C25H24ClNO5/c1-31-20-13-19(14-21(16-20)32-2)25(30)27(12-6-9-24(28)29)23-15-18(10-11-22(23)26)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-16H,6,9,12H2,1-2H3,(H,28,29)