ethyl 4-[2-(1-adamantylcarbonylamino)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1-adamantylcarbonylamino)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzoate CAS Name: 4-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzoate Traditional Name: 4-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzoic acid ethyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-2-28-20(26)17-3-5-18(6-4-17)24-19(25)13-23-21(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3,(H,23,27)(H,24,25)