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

Systemtic Name: 2-[[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]amino]ethanoic acid Openeye Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]anilino]acetic acid CAS Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]anilino]acetic acid IUPAC Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]anilino]acetic acid Traditional Name: 2-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]anilino]acetic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

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)NCC(=O)O

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)NCC(=O)O

InChI

InChI=1S/C20H20N4O4/c1-28-16-11-24(15-8-4-13(5-9-15)19(21)22)20(27)18(16)12-2-6-14(7-3-12)23-10-17(25)26/h2-9,23H,10-11H2,1H3,(H3,21,22)(H,25,26)