2-[1-[[4-(4-carbamimidoyl-3-chloranyl-phenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[[4-(4-carbamimidoyl-3-chloranyl-phenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-[[4-(4-carbamimidoyl-3-chloro-phenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-[[4-(4-carbamimidoyl-3-chlorophenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-[[4-(4-carbamimidoyl-3-chlorophenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-[[4-(4-amidino-3-chloro-phenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CC(=O)O)COC2=CC=C(C=C2)C3=CC(=C(C=C3)C(=N)N)Cl

Isomeric SMILES

C1CN(C(=O)C1CC(=O)O)COC2=CC=C(C=C2)C3=CC(=C(C=C3)C(=N)N)Cl

InChI

InChI=1S/C20H20ClN3O4/c21-17-9-13(3-6-16(17)19(22)23)12-1-4-15(5-2-12)28-11-24-8-7-14(20(24)27)10-18(25)26/h1-6,9,14H,7-8,10-11H2,(H3,22,23)(H,25,26)