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

Systemtic Name: 3-[[1-chloranyl-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 3-[[1-chloro-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid CAS Name: 3-[[1-chloro-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 3-[[1-chloro-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 3-[[1-chloro-6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C2=C1C=C(C=C2)OCCCCC3=CC=CC=C3)Cl)CC4(CNC4)C(=O)O

Isomeric SMILES

C1CC(=C(C2=C1C=C(C=C2)OCCCCC3=CC=CC=C3)Cl)CC4(CNC4)C(=O)O

InChI

InChI=1S/C25H28ClNO3/c26-23-20(15-25(24(28)29)16-27-17-25)10-9-19-14-21(11-12-22(19)23)30-13-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,11-12,14,27H,4-5,8-10,13,15-17H2,(H,28,29)