methyl 4-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-28-21(27)17-2-4-18(5-3-17)24-20(26)13-23-19(25)12-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-13H2,1H3,(H,23,25)(H,24,26)