3-phenethyl-4-(phenylcarbonyl)-5-(propanoylamino)benzoic acid

Systemtic Name: 3-phenethyl-4-(phenylcarbonyl)-5-(propanoylamino)benzoic acid Openeye Name: 4-benzoyl-3-phenethyl-5-(propanoylamino)benzoic acid CAS Name: 4-benzoyl-3-(1-oxopropylamino)-5-phenethylbenzoic acid IUPAC Name: 4-benzoyl-3-phenethyl-5-(propanoylamino)benzoic acid Traditional Name: 4-benzoyl-3-phenethyl-5-propionamido-benzoic acid Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H23NO4/c1-2-22(27)26-21-16-20(25(29)30)15-19(14-13-17-9-5-3-6-10-17)23(21)24(28)18-11-7-4-8-12-18/h3-12,15-16H,2,13-14H2,1H3,(H,26,27)(H,29,30)