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

Systemtic Name: 3-[4-[1-[3-(4-carbamimidoylphenyl)-2-methyl-phenyl]-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-[3-(4-carbamimidoylphenyl)-2-methyl-phenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-[3-(4-carbamimidoylphenyl)-2-methylphenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-[3-(4-carbamimidoylphenyl)-2-methylphenyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-[3-(4-amidinophenyl)-2-methyl-phenyl]-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2CC(=C(C2=O)C3=CC=C(C=C3)CCC(=O)O)OC)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=C(C=CC=C1N2CC(=C(C2=O)C3=CC=C(C=C3)CCC(=O)O)OC)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H27N3O4/c1-17-22(19-11-13-21(14-12-19)27(29)30)4-3-5-23(17)31-16-24(35-2)26(28(31)34)20-9-6-18(7-10-20)8-15-25(32)33/h3-7,9-14H,8,15-16H2,1-2H3,(H3,29,30)(H,32,33)