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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoyloxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]-1-oxopropoxy]methyl ester IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-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-methoxy-3-pyrrolin-3-yl]phenyl]propanoyloxymethyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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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)OC

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)OC

InChI

InChI=1S/C27H31N3O6/c1-27(2,3)26(33)36-16-35-22(31)14-7-17-5-8-18(9-6-17)23-21(34-4)15-30(25(23)32)20-12-10-19(11-13-20)24(28)29/h5-6,8-13H,7,14-16H2,1-4H3,(H3,28,29)