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dipropan-2-yl 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate

dipropan-2-yl 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name:dipropan-2-yl 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Openeye Name:diisopropyl 4-(2-isopropoxy-6-pentadecyl-phenyl)-2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate
CAS Name:2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dipropan-2-yl ester
IUPAC Name:dipropan-2-yl 2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Traditional Name:4-(2-isopropoxy-6-pentadecyl-phenyl)-2-methyl-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diisopropyl ester
Formula: C47H69N3O5S
MolecularWeight: 788.13286
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(NC(=C2C(=O)OC(C)C)CSC3=NC4=C(N3)C=C(C=C4)C)C)C(=O)OC(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(NC(=C2C(=O)OC(C)C)CSC3=NC4=C(N3)C=C(C=C4)C)C)C(=O)OC(C)C


InChI

InChI=1S/C47H69N3O5S/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-24-36-25-23-26-40(53-31(2)3)42(36)44-41(45(51)54-32(4)5)35(9)48-39(43(44)46(52)55-33(6)7)30-56-47-49-37-28-27-34(8)29-38(37)50-47/h23,25-29,31-33,44,48H,10-22,24,30H2,1-9H3,(H,49,50)


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