(phenylmethyl) 2-[2-(1-adamantylcarbonylamino)ethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-(1-adamantylcarbonylamino)ethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-(adamantane-1-carbonylamino)acetyl]amino]acetate CAS Name: 2-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(adamantane-1-carbonylamino)acetyl]amino]acetate Traditional Name: 2-[[2-(adamantane-1-carbonylamino)acetyl]amino]acetic acid benzyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H28N2O4/c25-19(23-13-20(26)28-14-15-4-2-1-3-5-15)12-24-21(27)22-9-16-6-17(10-22)8-18(7-16)11-22/h1-5,16-18H,6-14H2,(H,23,25)(H,24,27)