2-[2-[1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl]carbonylphenoxy]ethanoic acid

Systemtic Name: 2-[2-[1-(4-carbamimidoylphenyl)carbonylpyrrolidin-2-yl]carbonylphenoxy]ethanoic acid Openeye Name: 2-[2-[1-(4-carbamimidoylbenzoyl)pyrrolidine-2-carbonyl]phenoxy]acetic acid CAS Name: 2-[2-[[1-[(4-carbamimidoylphenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[2-[1-(4-carbamimidoylbenzoyl)pyrrolidine-2-carbonyl]phenoxy]acetic acid Traditional Name: 2-[2-[1-(4-amidinobenzoyl)prolyl]phenoxy]acetic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)C3=CC=CC=C3OCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)C3=CC=CC=C3OCC(=O)O

InChI

InChI=1S/C21H21N3O5/c22-20(23)13-7-9-14(10-8-13)21(28)24-11-3-5-16(24)19(27)15-4-1-2-6-17(15)29-12-18(25)26/h1-2,4,6-10,16H,3,5,11-12H2,(H3,22,23)(H,25,26)