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

Systemtic Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid hydrate Openeye Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid hydrate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid hydrate IUPAC Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid hydrate Traditional Name: 2-[1-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid hydrate Formula: C20H23N3O5 MolecularWeight: 385.41372

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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.O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4.H2O/c21-19(22)15-3-1-13(2-4-15)14-5-7-17(8-6-14)27-12-23-10-9-16(20(23)26)11-18(24)25;/h1-8,16H,9-12H2,(H3,21,22)(H,24,25);1H2