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

Systemtic Name: (4-ethylcyclohexyl) 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: (4-ethylcyclohexyl) 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 (4-ethylcyclohexyl) ester IUPAC Name: (4-ethylcyclohexyl) 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 (4-ethylcyclohexyl) ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)OC(=O)CC2CC(NC2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCC1CCC(CC1)OC(=O)CC2CC(NC2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H35N3O4/c1-2-18-3-11-25(12-4-18)35-26(32)16-22-15-23(31-28(22)33)17-34-24-13-9-20(10-14-24)19-5-7-21(8-6-19)27(29)30/h5-10,13-14,18,22-23,25H,2-4,11-12,15-17H2,1H3,(H3,29,30)(H,31,33)