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

Systemtic Name: 1-[2-[1-methyl-6-(4-phenylbutylsulfanyl)-3,4-dihydronaphthalen-2-yl]ethyl]azetidine-3-carboxylic acid Openeye Name: 1-[2-[1-methyl-6-(4-phenylbutylsulfanyl)-3,4-dihydronaphthalen-2-yl]ethyl]azetidine-3-carboxylic acid CAS Name: 1-[2-[1-methyl-6-(4-phenylbutylthio)-3,4-dihydronaphthalen-2-yl]ethyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[2-[1-methyl-6-(4-phenylbutylsulfanyl)-3,4-dihydronaphthalen-2-yl]ethyl]azetidine-3-carboxylic acid Traditional Name: 1-[2-[1-methyl-6-(4-phenylbutylthio)-3,4-dihydronaphthalen-2-yl]ethyl]azetidine-3-carboxylic acid Formula: C27H33NO2S MolecularWeight: 435.62142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC2=C1C=CC(=C2)SCCCCC3=CC=CC=C3)CCN4CC(C4)C(=O)O

Isomeric SMILES

CC1=C(CCC2=C1C=CC(=C2)SCCCCC3=CC=CC=C3)CCN4CC(C4)C(=O)O

InChI

InChI=1S/C27H33NO2S/c1-20-22(14-15-28-18-24(19-28)27(29)30)10-11-23-17-25(12-13-26(20)23)31-16-6-5-9-21-7-3-2-4-8-21/h2-4,7-8,12-13,17,24H,5-6,9-11,14-16,18-19H2,1H3,(H,29,30)