methyl 4-[[3-(1-adamantyl)-4-hexoxy-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-(1-adamantyl)-4-hexoxy-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(1-adamantyl)-4-hexoxy-benzoyl]amino]benzoate CAS Name: 4-[[[3-(1-adamantyl)-4-hexoxyphenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-adamantyl)-4-hexoxybenzoyl]amino]benzoate Traditional Name: 4-[[3-(1-adamantyl)-4-hexoxy-benzoyl]amino]benzoic acid methyl ester Formula: C31H39NO4 MolecularWeight: 489.64566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H39NO4/c1-3-4-5-6-13-36-28-12-9-25(29(33)32-26-10-7-24(8-11-26)30(34)35-2)17-27(28)31-18-21-14-22(19-31)16-23(15-21)20-31/h7-12,17,21-23H,3-6,13-16,18-20H2,1-2H3,(H,32,33)