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

Systemtic Name: ethyl 1-[[3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[[3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-imidazol-4-yl]methyl]-4-(1-naphthyl)pyrrole-3-carboxylate CAS Name: 1-[[3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-imidazolyl]methyl]-4-(1-naphthalenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrole-3-carboxylate Traditional Name: 1-[(5-methyl-3-piperonyl-imidazol-4-yl)methyl]-4-(1-naphthyl)pyrrole-3-carboxylic acid ethyl ester Formula: C30H27N3O4 MolecularWeight: 493.55308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1C2=CC=CC3=CC=CC=C32)CC4=C(N=CN4CC5=CC6=C(C=C5)OCO6)C

Isomeric SMILES

CCOC(=O)C1=CN(C=C1C2=CC=CC3=CC=CC=C32)CC4=C(N=CN4CC5=CC6=C(C=C5)OCO6)C

InChI

InChI=1S/C30H27N3O4/c1-3-35-30(34)26-16-32(15-25(26)24-10-6-8-22-7-4-5-9-23(22)24)17-27-20(2)31-18-33(27)14-21-11-12-28-29(13-21)37-19-36-28/h4-13,15-16,18H,3,14,17,19H2,1-2H3