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

Systemtic Name: 2-[1-aminocarbonyl-2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-carbamoyl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-carbamoyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-carbamoylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[[4-(4-amidinophenyl)phenoxy]methyl]-1-carbamoyl-pyrrolidin-3-yl]acetic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c22-20(23)15-3-1-13(2-4-15)14-5-7-17(8-6-14)29-12-18-16(11-19(26)27)9-10-25(18)21(24)28/h1-8,16,18H,9-12H2,(H3,22,23)(H2,24,28)(H,26,27)