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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-(methylamino)-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-(methylamino)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-(methylamino)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-(methylamino)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-(methylamino)-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

CNC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C22H24N4O3/c1-25-18-13-26(17-10-8-16(9-11-17)21(23)24)22(28)20(18)15-6-3-14(4-7-15)5-12-19(27)29-2/h3-4,6-11,25H,5,12-13H2,1-2H3,(H3,23,24)