O3-[(2R,3R)-2,3-bis(oxidanyl)-4-phenylmethoxy-butyl] O5-(phenylmethyl) (4R)-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-[(2R,3R)-2,3-bis(oxidanyl)-4-phenylmethoxy-butyl] O5-(phenylmethyl) (4R)-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-[(2R,3R)-4-benzyloxy-2,3-dihydroxy-butyl] (4R)-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[(2R,3R)-2,3-dihydroxy-4-phenylmethoxybutyl] ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-[(2R,3R)-2,3-dihydroxy-4-phenylmethoxybutyl] (4R)-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[(2R,3R)-4-benzoxy-2,3-dihydroxy-butyl] ester O5-benzyl ester Formula: C40H37NO7 MolecularWeight: 643.72428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C#CC4=CC=CC=C4)C(=O)OCC(C(COCC5=CC=CC=C5)O)O

Isomeric SMILES

CC1=C([C@H](C(=C(N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C#CC4=CC=CC=C4)C(=O)OC[C@H]([C@@H](COCC5=CC=CC=C5)O)O

InChI

InChI=1S/C40H37NO7/c1-28-36(39(44)48-27-35(43)34(42)26-46-24-30-16-8-3-9-17-30)33(23-22-29-14-6-2-7-15-29)37(38(41-28)32-20-12-5-13-21-32)40(45)47-25-31-18-10-4-11-19-31/h2-21,33-35,41-43H,24-27H2,1H3/t33-,34-,35-/m1/s1