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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]phenyl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]phenyl]-2,2-dimethyl-propionic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)C(=N)N)OC)C(=O)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)C(=N)N)OC)C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-23(2,22(28)29)12-14-4-10-17(11-5-14)26-13-18(30-3)19(21(26)27)15-6-8-16(9-7-15)20(24)25/h4-11H,12-13H2,1-3H3,(H3,24,25)(H,28,29)