ethyl 3-[3-(1-adamantylcarbonylamino)propanoylamino]benzoate

Systemtic Name: ethyl 3-[3-(1-adamantylcarbonylamino)propanoylamino]benzoate Openeye Name: ethyl 3-[3-(adamantane-1-carbonylamino)propanoylamino]benzoate CAS Name: 3-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(adamantane-1-carbonylamino)propanoylamino]benzoate Traditional Name: 3-[3-(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(=CC=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-2-29-21(27)18-4-3-5-19(11-18)25-20(26)6-7-24-22(28)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-5,11,15-17H,2,6-10,12-14H2,1H3,(H,24,28)(H,25,26)