methyl 2-methyl-5-(5-phenyl-5-pyridin-4-yl-pentyl)-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 2-methyl-5-(5-phenyl-5-pyridin-4-yl-pentyl)-1,3-dioxane-2-carboxylate Openeye Name: methyl 2-methyl-5-[5-phenyl-5-(4-pyridyl)pentyl]-1,3-dioxane-2-carboxylate CAS Name: 2-methyl-5-(5-phenyl-5-pyridin-4-ylpentyl)-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-(5-phenyl-5-pyridin-4-ylpentyl)-1,3-dioxane-2-carboxylate Traditional Name: 2-methyl-5-[5-phenyl-5-(4-pyridyl)pentyl]-1,3-dioxane-2-carboxylic acid methyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCC(C2=CC=CC=C2)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CC1(OCC(CO1)CCCCC(C2=CC=CC=C2)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C23H29NO4/c1-23(22(25)26-2)27-16-18(17-28-23)8-6-7-11-21(19-9-4-3-5-10-19)20-12-14-24-15-13-20/h3-5,9-10,12-15,18,21H,6-8,11,16-17H2,1-2H3