3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-phenylmethoxy-2H-pyrrol-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-phenylmethoxy-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-benzyloxy-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenylmethoxy-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-phenylmethoxy-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-4-benzoxy-2-keto-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c28-26(29)21-11-13-22(14-12-21)30-16-23(34-17-19-4-2-1-3-5-19)25(27(30)33)20-9-6-18(7-10-20)8-15-24(31)32/h1-7,9-14H,8,15-17H2,(H3,28,29)(H,31,32)