ethyl 4-[(3,5,7-trimethyl-1-adamantyl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[(3,5,7-trimethyl-1-adamantyl)carbamoylamino]benzoate Openeye Name: ethyl 4-[(3,5,7-trimethyl-1-adamantyl)carbamoylamino]benzoate CAS Name: 4-[[oxo-[(3,5,7-trimethyl-1-adamantyl)amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,5,7-trimethyl-1-adamantyl)carbamoylamino]benzoate Traditional Name: 4-[(3,5,7-trimethyl-1-adamantyl)carbamoylamino]benzoic acid ethyl ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC23CC4(CC(C2)(CC(C4)(C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC23CC4(CC(C2)(CC(C4)(C3)C)C)C

InChI

InChI=1S/C23H32N2O3/c1-5-28-18(26)16-6-8-17(9-7-16)24-19(27)25-23-13-20(2)10-21(3,14-23)12-22(4,11-20)15-23/h6-9H,5,10-15H2,1-4H3,(H2,24,25,27)