3-[2-[4-(cyanomethyl)phenoxy]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(cyanomethyl)phenoxy]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(cyanomethyl)phenoxy]acetyl]amino]benzoic acid CAS Name: 3-[[2-[4-(cyanomethyl)phenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(cyanomethyl)phenoxy]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[4-(cyanomethyl)phenoxy]acetyl]amino]benzoic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)CC#N)C(=O)O

InChI

InChI=1S/C17H14N2O4/c18-9-8-12-4-6-15(7-5-12)23-11-16(20)19-14-3-1-2-13(10-14)17(21)22/h1-7,10H,8,11H2,(H,19,20)(H,21,22)