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

Systemtic Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methyl-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methyl-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methyl-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-methyl-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-1-methyl-pyrrolidin-3-yl]acetic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1=O)(CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1CCC(C1=O)(CC(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N3O4/c1-24-11-10-21(20(24)27,12-18(25)26)13-28-17-8-6-15(7-9-17)14-2-4-16(5-3-14)19(22)23/h2-9H,10-13H2,1H3,(H3,22,23)(H,25,26)