3-[4-[1-(4-carbamimidoylphenyl)-3-morpholin-4-yl-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoyloxymethyl 2,2-dimethylpropanoate

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-morpholin-4-yl-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-morpholino-5-oxo-2H-pyrrol-4-yl]phenyl]propanoyloxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-[4-[1-(4-carbamimidoylphenyl)-3-(4-morpholinyl)-5-oxo-2H-pyrrol-4-yl]phenyl]-1-oxopropoxy]methyl ester IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-morpholin-4-yl-5-oxo-2H-pyrrol-4-yl]phenyl]propanoyloxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[4-[1-(4-amidinophenyl)-2-keto-4-morpholino-3-pyrrolin-3-yl]phenyl]propanoyloxymethyl ester Formula: C30H36N4O6 MolecularWeight: 548.63004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)N4CCOCC4

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)N4CCOCC4

InChI

InChI=1S/C30H36N4O6/c1-30(2,3)29(37)40-19-39-25(35)13-6-20-4-7-21(8-5-20)26-24(33-14-16-38-17-15-33)18-34(28(26)36)23-11-9-22(10-12-23)27(31)32/h4-5,7-12H,6,13-19H2,1-3H3,(H3,31,32)