prop-2-enyl 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]carbonylamino]benzoate

Systemtic Name: prop-2-enyl 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]carbonylamino]benzoate Openeye Name: allyl 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoyl]amino]benzoate CAS Name: 4-[[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]-oxomethyl]amino]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoyl]amino]benzoate Traditional Name: 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoyl]amino]benzoic acid allyl ester Formula: C31H37NO6 MolecularWeight: 519.62858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC=C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC=C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H37NO6/c1-4-11-36-30(34)24-5-8-26(9-6-24)32-29(33)25-7-10-28(38-19-37-20(2)35-3)27(15-25)31-16-21-12-22(17-31)14-23(13-21)18-31/h4-10,15,20-23H,1,11-14,16-19H2,2-3H3,(H,32,33)