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

Systemtic Name: 2-[1-[[4-(4-carbamimidoylphenyl)-2-methoxy-phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-[[4-(4-carbamimidoylphenyl)-2-methoxy-phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)-2-methoxyphenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-[[4-(4-carbamimidoylphenyl)-2-methoxyphenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-[[4-(4-amidinophenyl)-2-methoxy-phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCN3CCC(C3=O)CC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCN3CCC(C3=O)CC(=O)O

InChI

InChI=1S/C21H23N3O5/c1-28-18-10-15(13-2-4-14(5-3-13)20(22)23)6-7-17(18)29-12-24-9-8-16(21(24)27)11-19(25)26/h2-7,10,16H,8-9,11-12H2,1H3,(H3,22,23)(H,25,26)