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

Systemtic Name: cyclooctyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: cyclooctyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid cyclooctyl ester IUPAC Name: cyclooctyl 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid cyclooctyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)OC(=O)CC2CC(NC2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCCC(CCC1)OC(=O)CC2CC(NC2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H35N3O4/c29-27(30)21-10-8-19(9-11-21)20-12-14-24(15-13-20)34-18-23-16-22(28(33)31-23)17-26(32)35-25-6-4-2-1-3-5-7-25/h8-15,22-23,25H,1-7,16-18H2,(H3,29,30)(H,31,33)