2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-ethanoyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-ethanoyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-acetyl-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-acetyl-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-acetyl-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]pyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-acetyl-5-[[4-(4-amidinophenyl)phenoxy]methyl]pyrrolidin-3-yl]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CC(=O)N1CC(CC1COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C22H25N3O4/c1-14(26)25-12-15(11-21(27)28)10-19(25)13-29-20-8-6-17(7-9-20)16-2-4-18(5-3-16)22(23)24/h2-9,15,19H,10-13H2,1H3,(H3,23,24)(H,27,28)