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

Systemtic Name: methyl 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-naphthalen-1-yl-pyrrole-3-carboxylate Openeye Name: methyl 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(1-naphthyl)pyrrole-3-carboxylate CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(1-naphthalenyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-naphthalen-1-ylpyrrole-3-carboxylate Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-1-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(1-naphthyl)pyrrole-3-carboxylic acid methyl ester Formula: C29H25N3O4 MolecularWeight: 479.5265

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H25N3O4/c1-18-28(29(33)34-2)23(22-9-5-7-20-6-3-4-8-21(20)22)15-32(18)25(24-14-30-16-31-24)12-19-10-11-26-27(13-19)36-17-35-26/h3-11,13-16,25H,12,17H2,1-2H3,(H,30,31)