2-[4-[(2-butyl-5-methyl-pyrrolo[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5-methyl-pyrrolo[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-methyl-pyrrolo[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-methyl-3-pyrrolo[3,4-d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-methylpyrrolo[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-methyl-pyrrol[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C24H25N3O2 MolecularWeight: 387.4742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CN(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CCCCC1=NC2=CN(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C24H25N3O2/c1-3-4-9-23-25-21-15-26(2)16-22(21)27(23)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24(28)29/h5-8,10-13,15-16H,3-4,9,14H2,1-2H3,(H,28,29)