2-[5-[[4-(4-carbamimidoylphenyl)-2-ethoxy-phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2-ethoxy-phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2-ethoxy-phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2-ethoxyphenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2-ethoxyphenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(4-amidinophenyl)-2-ethoxy-phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCC3CC(C(=O)N3)CC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCC3CC(C(=O)N3)CC(=O)O

InChI

InChI=1S/C22H25N3O5/c1-2-29-19-10-15(13-3-5-14(6-4-13)21(23)24)7-8-18(19)30-12-17-9-16(11-20(26)27)22(28)25-17/h3-8,10,16-17H,2,9,11-12H2,1H3,(H3,23,24)(H,25,28)(H,26,27)