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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-2-methyl-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-2-methyl-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-2-methyl-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-2-methyl-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-5-methyl-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O)OC

Isomeric SMILES

CC1C(=C(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O)OC

InChI

InChI=1S/C22H23N3O4/c1-13-20(29-2)19(15-6-3-14(4-7-15)5-12-18(26)27)22(28)25(13)17-10-8-16(9-11-17)21(23)24/h3-4,6-11,13H,5,12H2,1-2H3,(H3,23,24)(H,26,27)