methyl 5-(4-indol-1-ylbutyl)-2-methyl-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 5-(4-indol-1-ylbutyl)-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-(4-indol-1-ylbutyl)-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-[4-(1-indolyl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-indol-1-ylbutyl)-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-(4-indol-1-ylbutyl)-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCN2C=CC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1(OCC(CO1)CCCCN2C=CC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H25NO4/c1-19(18(21)22-2)23-13-15(14-24-19)7-5-6-11-20-12-10-16-8-3-4-9-17(16)20/h3-4,8-10,12,15H,5-7,11,13-14H2,1-2H3