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

Systemtic Name: (phenylmethyl) 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: benzyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid benzyl ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4/c1-34-24-17-31(23-14-12-22(13-15-23)27(29)30)28(33)26(24)21-10-7-19(8-11-21)9-16-25(32)35-18-20-5-3-2-4-6-20/h2-8,10-15H,9,16-18H2,1H3,(H3,29,30)