2-[5-[[4-(4-carbamimidoylphenyl)-2,3-dimethyl-phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2,3-dimethyl-phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2,3-dimethyl-phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2,3-dimethylphenoxy]methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2,3-dimethylphenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(4-amidinophenyl)-2,3-dimethyl-phenoxy]methyl]-1-nicotinoyl-pyrrolidin-3-yl]acetic acid Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OCC2CC(CN2C(=O)C3=CN=CC=C3)CC(=O)O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1C)OCC2CC(CN2C(=O)C3=CN=CC=C3)CC(=O)O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H30N4O4/c1-17-18(2)25(10-9-24(17)20-5-7-21(8-6-20)27(29)30)36-16-23-12-19(13-26(33)34)15-32(23)28(35)22-4-3-11-31-14-22/h3-11,14,19,23H,12-13,15-16H2,1-2H3,(H3,29,30)(H,33,34)