1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-naphthalen-1-yl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-naphthalen-1-yl-pyrrole-3-carboxylic acid Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(1-naphthyl)pyrrole-3-carboxylic acid CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(1-naphthalenyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-naphthalen-1-ylpyrrole-3-carboxylic acid Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(1-naphthyl)pyrrole-3-carboxylic acid Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1C(CC2=CC3=C(C=C2)OCO3)C4=CN=CN4)C5=CC=CC6=CC=CC=C65)C(=O)O

Isomeric SMILES

CC1=C(C(=CN1C(CC2=CC3=C(C=C2)OCO3)C4=CN=CN4)C5=CC=CC6=CC=CC=C65)C(=O)O

InChI

InChI=1S/C28H23N3O4/c1-17-27(28(32)33)22(21-8-4-6-19-5-2-3-7-20(19)21)14-31(17)24(23-13-29-15-30-23)11-18-9-10-25-26(12-18)35-16-34-25/h2-10,12-15,24H,11,16H2,1H3,(H,29,30)(H,32,33)