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

Systemtic Name: methyl 4-[[3-(1-adamantyl)-4-decoxy-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(1-adamantyl)-4-decoxy-benzoyl]amino]benzoate CAS Name: 4-[[[3-(1-adamantyl)-4-decoxyphenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-adamantyl)-4-decoxybenzoyl]amino]benzoate Traditional Name: 4-[[3-(1-adamantyl)-4-decoxy-benzoyl]amino]benzoic acid methyl ester Formula: C35H47NO4 MolecularWeight: 545.75198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C35H47NO4/c1-3-4-5-6-7-8-9-10-17-40-32-16-13-29(33(37)36-30-14-11-28(12-15-30)34(38)39-2)21-31(32)35-22-25-18-26(23-35)20-27(19-25)24-35/h11-16,21,25-27H,3-10,17-20,22-24H2,1-2H3,(H,36,37)