2-[[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]-methyl-amino]ethanoic acid Openeye Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-N-methyl-anilino]acetic acid CAS Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-N-methylanilino]acetic acid IUPAC Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-N-methylanilino]acetic acid Traditional Name: 2-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]-N-methyl-anilino]acetic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)OC

Isomeric SMILES

CN(CC(=O)O)C1=CC=C(C=C1)C2=C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)OC

InChI

InChI=1S/C21H22N4O4/c1-24(12-18(26)27)15-7-3-13(4-8-15)19-17(29-2)11-25(21(19)28)16-9-5-14(6-10-16)20(22)23/h3-10H,11-12H2,1-2H3,(H3,22,23)(H,26,27)