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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-(dimethylamino)-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-(dimethylamino)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-(dimethylamino)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-(dimethylamino)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-4-(dimethylamino)-2-keto-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-26(2)19-14-27(18-11-9-17(10-12-18)22(24)25)23(29)21(19)16-7-4-15(5-8-16)6-13-20(28)30-3/h4-5,7-12H,6,13-14H2,1-3H3,(H3,24,25)