methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-pyrrolidin-1-yl-2H-pyrrol-4-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-pyrrolidin-1-yl-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-pyrrolidin-1-yl-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-(1-pyrrolidinyl)-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-pyrrolidin-1-yl-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-pyrrolidino-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)N4CCCC4

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)N4CCCC4

InChI

InChI=1S/C25H28N4O3/c1-32-22(30)13-6-17-4-7-18(8-5-17)23-21(28-14-2-3-15-28)16-29(25(23)31)20-11-9-19(10-12-20)24(26)27/h4-5,7-12H,2-3,6,13-16H2,1H3,(H3,26,27)