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

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)phenyl]-5-(propanoylamino)benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)phenyl]-5-(propanoylamino)benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]-5-(propanoylamino)benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)phenyl]-5-propionamido-benzoic acid Formula: C29H24ClNO4 MolecularWeight: 485.95816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24ClNO4/c1-2-28(32)31-23-15-20(14-21(16-23)29(33)34)24-10-6-7-11-25(24)26-17-22(30)12-13-27(26)35-18-19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,31,32)(H,33,34)