ethyl 3-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]benzoate CAS Name: 3-[[2-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]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)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

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