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

Systemtic Name: propanoyloxymethyl 4-[2-carbamimidoyl-4-[[4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]phenyl]benzoate Openeye Name: propanoyloxymethyl 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 1-oxopropoxymethyl ester IUPAC Name: propanoyloxymethyl 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 propionyloxymethyl ester Formula: C31H37N3O8 MolecularWeight: 579.64078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)OCOC(=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/C31H37N3O8/c1-2-27(35)40-18-41-31(38)20-10-8-19(9-11-20)25-13-12-24(16-26(25)29(32)33)39-17-22-14-21(30(37)34-22)15-28(36)42-23-6-4-3-5-7-23/h8-13,16,21-23H,2-7,14-15,17-18H2,1H3,(H3,32,33)(H,34,37)