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

Systemtic Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-phenyl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-phenyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-phenylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-1-phenyl-pyrrolidin-3-yl]acetic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1(CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C1(CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c27-24(28)20-8-6-18(7-9-20)19-10-12-22(13-11-19)33-17-26(16-23(30)31)14-15-29(25(26)32)21-4-2-1-3-5-21/h1-13H,14-17H2,(H3,27,28)(H,30,31)