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

Systemtic Name: ethyl 4-[2-(1-adamantylcarbonylamino)propanoylamino]benzoate Openeye Name: ethyl 4-[2-(adamantane-1-carbonylamino)propanoylamino]benzoate CAS Name: 4-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(adamantane-1-carbonylamino)propanoylamino]benzoate Traditional Name: 4-[2-(adamantane-1-carbonylamino)propanoylamino]benzoic acid ethyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-3-29-21(27)18-4-6-19(7-5-18)25-20(26)14(2)24-22(28)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,14-17H,3,8-13H2,1-2H3,(H,24,28)(H,25,26)