2-[5-[[3-carbamimidoyl-4-(4-methoxycarbonylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[3-carbamimidoyl-4-(4-methoxycarbonylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[3-carbamimidoyl-4-(4-methoxycarbonylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[3-carbamimidoyl-4-(4-methoxycarbonylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[3-carbamimidoyl-4-(4-methoxycarbonylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[3-amidino-4-(4-carbomethoxyphenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3)CC(=O)O)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3)CC(=O)O)C(=N)N

InChI

InChI=1S/C22H23N3O6/c1-30-22(29)13-4-2-12(3-5-13)17-7-6-16(10-18(17)20(23)24)31-11-15-8-14(9-19(26)27)21(28)25-15/h2-7,10,14-15H,8-9,11H2,1H3,(H3,23,24)(H,25,28)(H,26,27)