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

Systemtic Name: acetyloxymethyl 4-[2-carbamimidoyl-4-[[5-oxidanylidene-4-(2-oxidanylidene-2-propoxy-ethyl)pyrrolidin-2-yl]methoxy]phenyl]benzoate Openeye Name: acetoxymethyl 4-[2-carbamimidoyl-4-[[5-oxo-4-(2-oxo-2-propoxy-ethyl)pyrrolidin-2-yl]methoxy]phenyl]benzoate CAS Name: 4-[2-carbamimidoyl-4-[[5-oxo-4-(2-oxo-2-propoxyethyl)-2-pyrrolidinyl]methoxy]phenyl]benzoic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 4-[2-carbamimidoyl-4-[[5-oxo-4-(2-oxo-2-propoxyethyl)pyrrolidin-2-yl]methoxy]phenyl]benzoate Traditional Name: 4-[2-amidino-4-[[5-keto-4-(2-keto-2-propoxy-ethyl)pyrrolidin-2-yl]methoxy]phenyl]benzoic acid acetoxymethyl ester Formula: C27H31N3O8 MolecularWeight: 525.55034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1CC(NC1=O)COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCOC(=O)C)C(=N)N

Isomeric SMILES

CCCOC(=O)CC1CC(NC1=O)COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCOC(=O)C)C(=N)N

InChI

InChI=1S/C27H31N3O8/c1-3-10-35-24(32)12-19-11-20(30-26(19)33)14-36-21-8-9-22(23(13-21)25(28)29)17-4-6-18(7-5-17)27(34)38-15-37-16(2)31/h4-9,13,19-20H,3,10-12,14-15H2,1-2H3,(H3,28,29)(H,30,33)