methyl 4-[2-carbamimidoyl-4-[[4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]phenyl]benzoate

Systemtic Name: methyl 4-[2-carbamimidoyl-4-[[4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]phenyl]benzoate Openeye Name: methyl 4-[2-carbamimidoyl-4-[[4-[2-(cyclohexoxy)-2-oxo-ethyl]-5-oxo-pyrrolidin-2-yl]methoxy]phenyl]benzoate CAS Name: 4-[2-carbamimidoyl-4-[[4-(2-cyclohexyloxy-2-oxoethyl)-5-oxo-2-pyrrolidinyl]methoxy]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-carbamimidoyl-4-[[4-(2-cyclohexyloxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[[4-[2-(cyclohexoxy)-2-keto-ethyl]-5-keto-pyrrolidin-2-yl]methoxy]phenyl]benzoic acid methyl ester Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3)CC(=O)OC4CCCCC4)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3)CC(=O)OC4CCCCC4)C(=N)N

InChI

InChI=1S/C28H33N3O6/c1-35-28(34)18-9-7-17(8-10-18)23-12-11-22(15-24(23)26(29)30)36-16-20-13-19(27(33)31-20)14-25(32)37-21-5-3-2-4-6-21/h7-12,15,19-21H,2-6,13-14,16H2,1H3,(H3,29,30)(H,31,33)