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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-(dimethylamino)-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-(dimethylamino)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-(dimethylamino)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-(dimethylamino)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-4-(dimethylamino)-2-keto-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

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)O

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)O

InChI

InChI=1S/C22H24N4O3/c1-25(2)18-13-26(17-10-8-16(9-11-17)21(23)24)22(29)20(18)15-6-3-14(4-7-15)5-12-19(27)28/h3-4,6-11H,5,12-13H2,1-2H3,(H3,23,24)(H,27,28)