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

Systemtic Name: 5-(4-indol-1-ylbutyl)-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-(4-indol-1-ylbutyl)-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[4-(1-indolyl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-(4-indol-1-ylbutyl)-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-(4-indol-1-ylbutyl)-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4/c1-18(17(20)21)22-12-14(13-23-18)6-4-5-10-19-11-9-15-7-2-3-8-16(15)19/h2-3,7-9,11,14H,4-6,10,12-13H2,1H3,(H,20,21)