1-[[4-[3-(2-adamantyl)-4-methoxy-phenyl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[4-[3-(2-adamantyl)-4-methoxy-phenyl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[3-(2-adamantyl)-4-methoxy-phenyl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[3-(2-adamantyl)-4-methoxyphenyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[3-(2-adamantyl)-4-methoxyphenyl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[3-(2-adamantyl)-4-methoxy-phenyl]benzyl]azetidine-3-carboxylic acid Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)CN3CC(C3)C(=O)O)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)CN3CC(C3)C(=O)O)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H33NO3/c1-32-26-7-6-21(13-25(26)27-22-9-18-8-19(11-22)12-23(27)10-18)20-4-2-17(3-5-20)14-29-15-24(16-29)28(30)31/h2-7,13,18-19,22-24,27H,8-12,14-16H2,1H3,(H,30,31)