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

Systemtic Name: 3-[[1-methyl-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 3-[[1-methyl-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid CAS Name: 3-[[1-methyl-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 3-[[1-methyl-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 3-[[1-methyl-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC2=C1C=CC(=C2)OCCCCC3=CC=CC=C3)CC4(CNC4)C(=O)O

Isomeric SMILES

CC1=C(CCC2=C1C=CC(=C2)OCCCCC3=CC=CC=C3)CC4(CNC4)C(=O)O

InChI

InChI=1S/C26H31NO3/c1-19-22(16-26(25(28)29)17-27-18-26)11-10-21-15-23(12-13-24(19)21)30-14-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,12-13,15,27H,5-6,9-11,14,16-18H2,1H3,(H,28,29)