4-[2-(diphenethylazaniumyl)ethanoylamino]benzoate

Systemtic Name: 4-[2-(diphenethylazaniumyl)ethanoylamino]benzoate Openeye Name: 4-[[2-(diphenethylammonio)acetyl]amino]benzoate CAS Name: 4-[[2-(diphenethylammonio)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(diphenethylazaniumyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(diphenethylammonio)acetyl]amino]benzoate Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C25H26N2O3/c28-24(26-23-13-11-22(12-14-23)25(29)30)19-27(17-15-20-7-3-1-4-8-20)18-16-21-9-5-2-6-10-21/h1-14H,15-19H2,(H,26,28)(H,29,30)