ethyl 4-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(p-tolyl)adamantane-1-carbonyl]amino]benzoate CAS Name: 4-[[[3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoate Traditional Name: 4-[[3-(p-tolyl)adamantane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H31NO3/c1-3-31-24(29)21-6-10-23(11-7-21)28-25(30)27-15-19-12-20(16-27)14-26(13-19,17-27)22-8-4-18(2)5-9-22/h4-11,19-20H,3,12-17H2,1-2H3,(H,28,30)