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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]-3-chloranyl-phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-3-chloro-phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-3-chlorophenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-3-chlorophenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]-3-chloro-phenyl]propionic acid Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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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=C(C=C(C=C3)CCC(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-29-17-11-25(14-6-4-13(5-7-14)20(23)24)21(28)19(17)15-8-2-12(10-16(15)22)3-9-18(26)27/h2,4-8,10H,3,9,11H2,1H3,(H3,23,24)(H,26,27)