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

Systemtic Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C1(CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CNC(=O)C1(CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N3O4/c21-18(22)15-3-1-13(2-4-15)14-5-7-16(8-6-14)27-12-20(11-17(24)25)9-10-23-19(20)26/h1-8H,9-12H2,(H3,21,22)(H,23,26)(H,24,25)