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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-2H-pyrrol-3-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-3-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-3-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-3-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-27-20(26)11-4-14-2-5-15(6-3-14)17-12-19(25)24(13-17)18-9-7-16(8-10-18)21(22)23/h2-3,5-10,12H,4,11,13H2,1H3,(H3,22,23)