2-(3-azidophenyl)-2-(2-pyrrol-1-ylphenoxy)butanoic acid

Systemtic Name: 2-(3-azidophenyl)-2-(2-pyrrol-1-ylphenoxy)butanoic acid Openeye Name: 2-(3-azidophenyl)-2-(2-pyrrol-1-ylphenoxy)butanoic acid CAS Name: 2-(3-azidophenyl)-2-[2-(1-pyrrolyl)phenoxy]butanoic acid IUPAC Name: 2-(3-azidophenyl)-2-(2-pyrrol-1-ylphenoxy)butanoic acid Traditional Name: 2-(3-azidophenyl)-2-(2-pyrrol-1-ylphenoxy)butyric acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)N=[N+]=[N-])(C(=O)O)OC2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

CCC(C1=CC(=CC=C1)N=[N+]=[N-])(C(=O)O)OC2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C20H18N4O3/c1-2-20(19(25)26,15-8-7-9-16(14-15)22-23-21)27-18-11-4-3-10-17(18)24-12-5-6-13-24/h3-14H,2H2,1H3,(H,25,26)