2-[1-[[4-(4-carbamimidoylphenyl)-2-ethoxy-phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[[4-(4-carbamimidoylphenyl)-2-ethoxy-phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-[[4-(4-carbamimidoylphenyl)-2-ethoxy-phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)-2-ethoxyphenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-[[4-(4-carbamimidoylphenyl)-2-ethoxyphenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-[[4-(4-amidinophenyl)-2-ethoxy-phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCN3CCC(C3=O)CC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCN3CCC(C3=O)CC(=O)O

InChI

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