ethyl 3-[4-(1-adamantylcarbonylamino)butanoylamino]benzoate

Systemtic Name: ethyl 3-[4-(1-adamantylcarbonylamino)butanoylamino]benzoate Openeye Name: ethyl 3-[4-(adamantane-1-carbonylamino)butanoylamino]benzoate CAS Name: 3-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(adamantane-1-carbonylamino)butanoylamino]benzoate Traditional Name: 3-[4-(adamantane-1-carbonylamino)butanoylamino]benzoic acid ethyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c1-2-30-22(28)19-5-3-6-20(12-19)26-21(27)7-4-8-25-23(29)24-13-16-9-17(14-24)11-18(10-16)15-24/h3,5-6,12,16-18H,2,4,7-11,13-15H2,1H3,(H,25,29)(H,26,27)