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

Systemtic Name: 2-methylpropanoyloxymethyl 4-[2-carbamimidoyl-4-[[4-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]phenyl]benzoate Openeye Name: 2-methylpropanoyloxymethyl 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 (2-methyl-1-oxopropoxy)methyl ester IUPAC Name: 2-methylpropanoyloxymethyl 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 isobutyryloxymethyl ester Formula: C27H31N3O8 MolecularWeight: 525.55034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=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

CC(C)C(=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/c1-15(2)26(33)37-14-38-27(34)17-6-4-16(5-7-17)21-9-8-20(12-22(21)24(28)29)36-13-19-10-18(25(32)30-19)11-23(31)35-3/h4-9,12,15,18-19H,10-11,13-14H2,1-3H3,(H3,28,29)(H,30,32)