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

Systemtic Name: butanoyloxymethyl 4-[2-carbamimidoyl-4-[[4-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]phenyl]benzoate Openeye Name: butanoyloxymethyl 4-[2-carbamimidoyl-4-[[4-(2-methoxy-2-oxo-ethyl)-5-oxo-pyrrolidin-2-yl]methoxy]phenyl]benzoate CAS Name: 4-[2-carbamimidoyl-4-[[4-(2-methoxy-2-oxoethyl)-5-oxo-2-pyrrolidinyl]methoxy]phenyl]benzoic acid 1-oxobutoxymethyl ester IUPAC Name: butanoyloxymethyl 4-[2-carbamimidoyl-4-[[4-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[[5-keto-4-(2-keto-2-methoxy-ethyl)pyrrolidin-2-yl]methoxy]phenyl]benzoic acid butyryloxymethyl ester Formula: C27H31N3O8 MolecularWeight: 525.55034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3)CC(=O)OC)C(=N)N

Isomeric SMILES

CCCC(=O)OCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3CC(C(=O)N3)CC(=O)OC)C(=N)N

InChI

InChI=1S/C27H31N3O8/c1-3-4-23(31)37-15-38-27(34)17-7-5-16(6-8-17)21-10-9-20(13-22(21)25(28)29)36-14-19-11-18(26(33)30-19)12-24(32)35-2/h5-10,13,18-19H,3-4,11-12,14-15H2,1-2H3,(H3,28,29)(H,30,33)