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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1CC2=CN=CN2CC3=CC4=C(C=C3)OCO4)C5=CC=CC6=CC=CC=C65)C(=O)O

Isomeric SMILES

CC1=C(C(=CN1CC2=CN=CN2CC3=CC4=C(C=C3)OCO4)C5=CC=CC6=CC=CC=C65)C(=O)O

InChI

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