methyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-1-pyridin-3-yl-pyrrolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-1-pyridin-3-yl-pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-(3-pyridyl)pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-(3-pyridinyl)-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-1-pyridin-3-ylpyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-1-(3-pyridyl)pyrrolidin-3-yl]acetic acid methyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(N(C1=O)C2=CN=CC=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CC1CC(N(C1=O)C2=CN=CC=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H26N4O4/c1-33-24(31)14-20-13-22(30(26(20)32)21-3-2-12-29-15-21)16-34-23-10-8-18(9-11-23)17-4-6-19(7-5-17)25(27)28/h2-12,15,20,22H,13-14,16H2,1H3,(H3,27,28)