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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-phenylazanyl-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-anilino-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[3-anilino-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-anilino-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-4-anilino-2-keto-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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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)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)NC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-34-24(32)16-9-18-7-10-19(11-8-18)25-23(30-21-5-3-2-4-6-21)17-31(27(25)33)22-14-12-20(13-15-22)26(28)29/h2-8,10-15,30H,9,16-17H2,1H3,(H3,28,29)