3-[[1-methyl-6-(5-phenylpentoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 3-[[1-methyl-6-(5-phenylpentoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 3-[[1-methyl-6-(5-phenylpentoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid CAS Name: 3-[[1-methyl-6-(5-phenylpentoxy)-3,4-dihydronaphthalen-2-yl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 3-[[1-methyl-6-(5-phenylpentoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 3-[[1-methyl-6-(5-phenylpentoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid Formula: C27H33NO3 MolecularWeight: 419.55582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC2=C1C=CC(=C2)OCCCCCC3=CC=CC=C3)CC4(CNC4)C(=O)O

Isomeric SMILES

CC1=C(CCC2=C1C=CC(=C2)OCCCCCC3=CC=CC=C3)CC4(CNC4)C(=O)O

InChI

InChI=1S/C27H33NO3/c1-20-23(17-27(26(29)30)18-28-19-27)12-11-22-16-24(13-14-25(20)22)31-15-7-3-6-10-21-8-4-2-5-9-21/h2,4-5,8-9,13-14,16,28H,3,6-7,10-12,15,17-19H2,1H3,(H,29,30)