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

Systemtic Name: 1-[[4-[[3-(1-adamantyl)-4-methoxy-phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[[3-(1-adamantyl)-4-methoxy-phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[[3-(1-adamantyl)-4-methoxyphenyl]methoxy]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[[3-(1-adamantyl)-4-methoxyphenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[3-(1-adamantyl)-4-methoxy-benzyl]oxybenzyl]azetidine-3-carboxylic acid Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC2=CC=C(C=C2)CN3CC(C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)COC2=CC=C(C=C2)CN3CC(C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H35NO4/c1-33-27-7-4-20(11-26(27)29-12-21-8-22(13-29)10-23(9-21)14-29)18-34-25-5-2-19(3-6-25)15-30-16-24(17-30)28(31)32/h2-7,11,21-24H,8-10,12-18H2,1H3,(H,31,32)